Geometry & MOs

Info

ID:	140426
PubChem CID:	52695081
Reduced:	N2O5C27H28 (1)
Stoich.:	A2B5C27D28 (1)
Weight, g/mol:	385.101561
ΔH_f, kcal/mol:	-138.03
Dipole, Da:	6.09
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1CN2C(=O)C(NC2=O)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations