Geometry & MOs

Info

ID:	130659
PubChem CID:	51091919
Reduced:	ClNSO4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	327.069592
ΔH_f, kcal/mol:	-123.03
Dipole, Da:	6.42
IP(EA), eV:	-9.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)sulfonylethyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations