Geometry & MOs

Info

ID:	86937
PubChem CID:	49890044
Reduced:	ClFSN2O5H12C21 (1)
Stoich.:	ABCD2E5F12G21 (1)
Weight, g/mol:	519.061043
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	6.82
IP(EA), eV:	-9.33(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])/SC2=O)F

DOS

IR

Vibrations