Geometry & MOs

Info

ID:	88039
PubChem CID:	49900095
Reduced:	NSCl2O6H19C22 (1)
Stoich.:	ABC2D6E19F22 (1)
Weight, g/mol:	462.020784
ΔH_f, kcal/mol:	-190.39
Dipole, Da:	5.43
IP(EA), eV:	-8.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OCC(=O)OC

DOS

IR

Vibrations