Geometry & MOs

Info

ID:	171263
PubChem CID:	75350935
Reduced:	SN2O6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	477.104622
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	5.29
IP(EA), eV:	-8.65(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-[2-(4-methylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])OC)SC2=O

DOS

IR

Vibrations