Geometry & MOs

Info

ID:	87616
PubChem CID:	49895857
Reduced:	NSO4H29C30 (1)
Stoich.:	ABC4D29E30 (1)
Weight, g/mol:	450.116877
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	2.18
IP(EA), eV:	-8.74(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC(=C4)C

DOS

IR

Vibrations