Geometry & MOs

Info

ID:	87497
PubChem CID:	49895052
Reduced:	NSO3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	452.155849
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	4.57
IP(EA), eV:	-8.95(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(C)C)/SC2=O

DOS

IR

Vibrations