Geometry & MOs

Info

ID:	86923
PubChem CID:	49890001
Reduced:	FSCl2N2O4H9C17 (1)
Stoich.:	ABC2D2E4F9G17 (1)
Weight, g/mol:	497.05
ΔH_f, kcal/mol:	-79.82
Dipole, Da:	4.88
IP(EA), eV:	-9.9(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-])/SC2=O)F

DOS

IR

Vibrations