Geometry & MOs

Info

ID:	202253
PubChem CID:	79646488
Reduced:	NS2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	328.091535
ΔH_f, kcal/mol:	-154.2
Dipole, Da:	4.44
IP(EA), eV:	-9.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylamino)-3-(4-methylsulfonylphenyl)sulfanylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CNC1(CCC(C1)SC2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

DOS

IR

Vibrations