Geometry & MOs

Info

ID:	192383
PubChem CID:	78263365
Reduced:	Cl2N3O5H16C24 (1)
Stoich.:	A2B3C5D16E24 (1)
Weight, g/mol:	481.969045
ΔH_f, kcal/mol:	-65.84
Dipole, Da:	20.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.823330
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)[O-])C)C=C3C(=O)NC(=O)N(C3=O)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations