Geometry & MOs

Info

ID:	70061
PubChem CID:	47207222
Reduced:	BrNSO3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-113.71
Dipole, Da:	3.93
IP(EA), eV:	-9.35(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(=O)NC1=CC=CC=C1Br

DOS

IR

Vibrations