Geometry & MOs

Info

ID:	87208
PubChem CID:	49893088
Reduced:	SCl2N2O2H18C21 (1)
Stoich.:	AB2C2D2E18F21 (1)
Weight, g/mol:	583.989501
ΔH_f, kcal/mol:	-23.76
Dipole, Da:	8.21
IP(EA), eV:	-8.32(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations