Geometry & MOs

Info

ID:	171092
PubChem CID:	75327213
Reduced:	NSO4H21C29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	523.192963
ΔH_f, kcal/mol:	-59.1
Dipole, Da:	5.12
IP(EA), eV:	-8.89(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C3C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations