Geometry & MOs

Info

ID:	171193
PubChem CID:	75342527
Reduced:	SN2O6H18C23 (1)
Stoich.:	AB2C6D18E23 (1)
Weight, g/mol:	460.182064
ΔH_f, kcal/mol:	-79.94
Dipole, Da:	3.67
IP(EA), eV:	-8.86(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCN2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])SC2=O

DOS

IR

Vibrations