Geometry & MOs

Info

ID:	68827
PubChem CID:	46509168
Reduced:	O3N4H26C30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	458.144633
ΔH_f, kcal/mol:	0.85
Dipole, Da:	3.37
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)C6=NC7=CC=CC=C7N6

DOS

IR

Vibrations