Geometry & MOs

Info

ID:	68797
PubChem CID:	46509113
Reduced:	N3O4H17C21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	-87.28
Dipole, Da:	5.36
IP(EA), eV:	-8.47(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-phenylsulfanylbutan-1-one

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2NC1=O)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations