Geometry & MOs

Info

ID:	150967
PubChem CID:	53790664
Reduced:	O2C12H17 (2)
Stoich.:	A2B12C17 (2)
Weight, g/mol:	510.226054
ΔH_f, kcal/mol:	-163.31
Dipole, Da:	7.58
IP(EA), eV:	-9.56(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[[2-[(3S,5R)-3-[(4-carbamimidoylpiperidin-1-yl)methyl]-1,2-oxazolidin-5-yl]acetyl]amino]-2-(4-methylphenyl)sulfonylpropanoic 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

C1C[C@@H]2[C@@H]([C@@H]([C@H]1O2)CCCCOCC3=CC=CC=C3)CC=CCCCC(=O)O

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

C1C[C@@H]2[C@@H]([C@@H]([C@H]1O2)CCCCOCC3=CC=CC=C3)CC=CCCCC(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):