Geometry & MOs

Info

ID:	240128
PubChem CID:	93576281
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-75.18
Dipole, Da:	2.69
IP(EA), eV:	-8.98(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations