Geometry & MOs

Info

ID:	313466
PubChem CID:	126614889
Reduced:	ClSN2O2H21C23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	422.085577
ΔH_f, kcal/mol:	-28.66
Dipole, Da:	5.72
IP(EA), eV:	-8.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C(=CC=C2)Cl)C)C)/C=C/3\C(=O)N(C(S3)O)C4=CC=CC=C4

DOS

IR

Vibrations