Geometry & MOs

Info

ID:	70013
PubChem CID:	47206697
Reduced:	ClNSO3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	359.01908
ΔH_f, kcal/mol:	-122.48
Dipole, Da:	2.52
IP(EA), eV:	-9.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methylsulfonyl]-N-(1-cyclopropylethyl)acetamide

Drug info:

PubChemData

Smile

CNC(=O)CCS(=O)(=O)CC1=CC=CC=C1Cl

DOS

IR

Vibrations