Geometry & MOs

Info

ID:	70069
PubChem CID:	47207316
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	285.067094
ΔH_f, kcal/mol:	-156.72
Dipole, Da:	6.17
IP(EA), eV:	-8.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[(2-methylsulfonylacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CS(=O)(=O)CC(=O)NC1=CC=C(C=C1)N2CCCC2=O

DOS

IR

Vibrations