Geometry & MOs

Info

ID:	70073
PubChem CID:	47207378
Reduced:	BrNSO3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	285.067094
ΔH_f, kcal/mol:	-116.97
Dipole, Da:	6.25
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2-ethylsulfonylacetyl)amino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations