Geometry & MOs

Info

ID:	131971
PubChem CID:	51285306
Reduced:	ClSN2O4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-171.9
Dipole, Da:	3.4
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1CCN(CC1)C(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations