Geometry & MOs

Info

ID:	242338
PubChem CID:	96099870
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	5.26
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-carboxyethyl]-2-(methylaminomethyl)benzimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)[C@@H]3CC4=CC=CC=C4S3

DOS

IR

Vibrations