Geometry & MOs

Info

ID:	242342
PubChem CID:	96099874
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-13.7
Dipole, Da:	4.56
IP(EA), eV:	-8.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5-amino-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations