Geometry & MOs

Info

ID:	87838
PubChem CID:	49897859
Reduced:	SN2O4H24C30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	514.171499
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	4.45
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations