Geometry & MOs

Info

ID:	86860
PubChem CID:	49889798
Reduced:	FSN3O5H14C22 (1)
Stoich.:	ABC3D5E14F22 (1)
Weight, g/mol:	544.041036
ΔH_f, kcal/mol:	-67.2
Dipole, Da:	5.82
IP(EA), eV:	-9.79(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-])/SC2=O)F

DOS

IR

Vibrations