Geometry & MOs

Info

ID:	120803
PubChem CID:	50745077
Reduced:	SN4O4C25H30 (1)
Stoich.:	AB4C4D25E30 (1)
Weight, g/mol:	493.224453
ΔH_f, kcal/mol:	-128.01
Dipole, Da:	9.4
IP(EA), eV:	-8.54(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CCC3=CNC4=C3C=C(C=C4)C

DOS

IR

Vibrations