Geometry & MOs

Info

ID:	171228
PubChem CID:	75346497
Reduced:	BrNSO4H26C31 (1)
Stoich.:	ABCD4E26F31 (1)
Weight, g/mol:	480.127441
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	4.67
IP(EA), eV:	-8.59(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCN2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC4=CC=CC5=CC=CC=C54)SC2=O

DOS

IR

Vibrations