Geometry & MOs

Info

ID:	86563
PubChem CID:	49887125
Reduced:	ClSN3O7H14C23 (1)
Stoich.:	ABC3D7E14F23 (1)
Weight, g/mol:	434.085577
ΔH_f, kcal/mol:	-31.56
Dipole, Da:	7.95
IP(EA), eV:	-9.73(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[4-(N-methylanilino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/SC2=O)Cl

DOS

IR

Vibrations