Geometry & MOs

Info

ID:	175609
PubChem CID:	75927810
Reduced:	ClSO3N5C17H18 (1)
Stoich.:	ABC3D5E17F18 (1)
Weight, g/mol:	471.194026
ΔH_f, kcal/mol:	-22.43
Dipole, Da:	5.14
IP(EA), eV:	-9.6(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(2-pyridin-3-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC(=NC=C2)Cl)S(=O)(=O)C3C=CC4=NC(=O)NC4=C3

DOS

IR

Vibrations