Geometry & MOs

Info

ID:	309741
PubChem CID:	126556886
Reduced:	NF2O6H29C31 (1)
Stoich.:	AB2C6D29E31 (1)
Weight, g/mol:	741.323459
ΔH_f, kcal/mol:	-274.92
Dipole, Da:	6.56
IP(EA), eV:	-9.5(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-[[(1R)-1-[4-[(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-4-oxo-1-(1-pyridin-3-ylethylcarbamoyl)azetidine-2-carbonyl]oxycyclohexyl]ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC(=C1)[C@H]2C[C@H](C[C@H](O2)C3=CC=CC=C3)NC(=O)C4(CC4)C5=CC6=C(C=C5)OC(O6)(F)F)C(=O)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC(=C1)[C@H]2C[C@H](C[C@H](O2)C3=CC=CC=C3)NC(=O)C4(CC4)C5=CC6=C(C=C5)OC(O6)(F)F)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):