Geometry & MOs

Info

ID:	240149
PubChem CID:	93576366
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	-78.79
Dipole, Da:	6.27
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]benzimidazol-2-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)CN2C3=CC=CC=C3N=C2CCNC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations