Geometry & MOs

Info

ID:	240133
PubChem CID:	93576300
Reduced:	ClO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	2.44
IP(EA), eV:	-9.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C(=O)NCCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations