Geometry & MOs

Info

ID:	240068
PubChem CID:	93576020
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-109.08
Dipole, Da:	7.36
IP(EA), eV:	-8.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)OC)NC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations