Geometry & MOs

Info

ID:	86734
PubChem CID:	49888757
Reduced:	NSO4H15C19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	420.018285
ΔH_f, kcal/mol:	-103.37
Dipole, Da:	3.73
IP(EA), eV:	-9.45(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3

DOS

IR

Vibrations