Geometry & MOs

Info

ID:	125024
PubChem CID:	50907648
Reduced:	N2O3H18C22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	443.005278
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	6.61
IP(EA), eV:	-8.31(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-[[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C(=C2)C3=CC=CC=C3)CC4=NC(=CC=C4)C(=O)O

DOS

IR

Vibrations