Geometry & MOs

Info

ID:	87447
PubChem CID:	49894670
Reduced:	SN2O5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	530.083095
ΔH_f, kcal/mol:	-49.14
Dipole, Da:	7.17
IP(EA), eV:	-9.2(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4C

DOS

IR

Vibrations