Geometry & MOs

Info

ID:	240125
PubChem CID:	93576254
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	5.95
IP(EA), eV:	-8.83(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2C3=CC=CC=C3N=C2CCNC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations