Geometry & MOs

Info

ID:	240136
PubChem CID:	93576308
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-85.99
Dipole, Da:	8.6
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2CCNC(=O)[C@@H]4CCCO4)C

DOS

IR

Vibrations