Geometry & MOs

Info

ID:	87268
PubChem CID:	49893503
Reduced:	SN2O5H14C21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	364.088164
ΔH_f, kcal/mol:	-110.1
Dipole, Da:	7.85
IP(EA), eV:	-8.88(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=COC4=CC=CC=C4C3=O)/SC2=O

DOS

IR

Vibrations