Geometry & MOs

Info

ID:	43389
PubChem CID:	10321218
Reduced:	OCl2F2N3H13C22 (1)
Stoich.:	AB2C2D3E13F22 (1)
Weight, g/mol:	443.94632
ΔH_f, kcal/mol:	-50.18
Dipole, Da:	5.39
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=C3C=C(C=CC3=NC=C2NC(=O)NC4=C(C=C(C=C4)F)F)Cl

DOS

IR

Vibrations