Geometry & MOs

Info

ID:	87013
PubChem CID:	49890546
Reduced:	NSO4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	365.999654
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	2.56
IP(EA), eV:	-8.95(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)CC=C)/C=C\2/C(=O)NC(=O)S2

DOS

IR

Vibrations