Geometry & MOs

Info

ID:	429259
PubChem CID:	135169163
Reduced:	O3N5C28H31 (1)
Stoich.:	A3B5C28D31 (1)
Weight, g/mol:	534.214617
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	7.12
IP(EA), eV:	-8.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-(2,6-dimethylpyridin-4-yl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

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

CC[C@H](C1=CC=CC=C1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC(=C3)C)N)C(=O)N(C)C4=CC=CC=C4

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

CC[C@H](C1=CC=CC=C1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC(=C3)C)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):