Geometry & MOs

Info

ID:	124070
PubChem CID:	50871751
Reduced:	NOSH8C10 (2)
Stoich.:	ABCD8E10 (2)
Weight, g/mol:	473.050398
ΔH_f, kcal/mol:	35.86
Dipole, Da:	5.33
IP(EA), eV:	-8.81(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(E)-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)/SC1=S

DOS

IR

Vibrations