Geometry & MOs

Info

ID:	135458
PubChem CID:	51873793
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-22.28
Dipole, Da:	4.6
IP(EA), eV:	-8.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzimidazol-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@@H](C)N2C=NC3=CC=CC=C32

DOS

IR

Vibrations