Geometry & MOs

Info

ID:	70092
PubChem CID:	47207537
Reduced:	ClNSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	347.01908
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	2.81
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bromophenyl)ethyl]-2-propylsulfonylacetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C(C)C(=O)NC1=CC=C(C=C1)Cl

DOS

IR

Vibrations