Geometry & MOs

Info

ID:	88021
PubChem CID:	49899953
Reduced:	NSCl2O3H17C23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	473.000383
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	5.25
IP(EA), eV:	-8.73(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations