Geometry & MOs

Info

ID:	56015
PubChem CID:	17403764
Reduced:	SN3O5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	354.088557
ΔH_f, kcal/mol:	-131.61
Dipole, Da:	7.1
IP(EA), eV:	-9.65(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,5-dimethoxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCC3

DOS

IR

Vibrations