Geometry & MOs

Info

ID:	159231
PubChem CID:	57264512
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	283.051444
ΔH_f, kcal/mol:	-73.03
Dipole, Da:	5.19
IP(EA), eV:	-8.82(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(2-sulfanylacetyl)amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC=CS(=O)(=O)NNCC1=CC=C(C=C1)O

DOS

IR

Vibrations