Geometry & MOs

Info

ID:	136949
PubChem CID:	52128199
Reduced:	ClNSO4C19H22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	393.080157
ΔH_f, kcal/mol:	-147.95
Dipole, Da:	9.59
IP(EA), eV:	-9.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations