Geometry & MOs

Info

ID:	171150
PubChem CID:	75336398
Reduced:	ClNSO5C16H16 (1)
Stoich.:	ABCD5E16F16 (1)
Weight, g/mol:	478.014072
ΔH_f, kcal/mol:	-184.74
Dipole, Da:	5.49
IP(EA), eV:	-8.95(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[[2-(4-nitrophenyl)sulfonyloxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OCC)Cl

DOS

IR

Vibrations