Geometry & MOs

Info

ID:	88081
PubChem CID:	49900672
Reduced:	SN2O5H18C26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	515.095807
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	5.41
IP(EA), eV:	-8.96(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

DOS

IR

Vibrations