Geometry & MOs

Info

ID:	80696
PubChem CID:	49835906
Reduced:	OCl2N2C8H10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	476.97041
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	3.94
IP(EA), eV:	-9.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5Z)-5-[[3-[(4-bromophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=N)N)Cl.Cl

DOS

IR

Vibrations