Geometry & MOs

Info

ID:	291518
PubChem CID:	113142636
Reduced:	ClSN2O3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	384.127441
ΔH_f, kcal/mol:	-108.2
Dipole, Da:	5.42
IP(EA), eV:	-8.9(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N(CCC(=O)NC2=CC=CC=C2Cl)S(=O)(=O)C)C

DOS

IR

Vibrations