Geometry & MOs

Info

ID:	33106
PubChem CID:	7851383
Reduced:	SN2O5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	323.100502
ΔH_f, kcal/mol:	-209.89
Dipole, Da:	8.54
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(2-propanoyloxyacetyl)amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCC(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations