Geometry & MOs

Info

ID:	70072
PubChem CID:	47207373
Reduced:	INSO3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	318.98778
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	2.7
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-2-ethylsulfonylacetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(=O)NC1=CC=C(C=C1)I

DOS

IR

Vibrations