Geometry & MOs

Info

ID:	86581
PubChem CID:	49887357
Reduced:	ClSN3O3H24C29 (1)
Stoich.:	ABC3D3E24F29 (1)
Weight, g/mol:	526.007632
ΔH_f, kcal/mol:	-33.65
Dipole, Da:	1.44
IP(EA), eV:	-8.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations