Geometry & MOs

Info

ID:	86862
PubChem CID:	49889815
Reduced:	ClNSF2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	553.022071
ΔH_f, kcal/mol:	-168.36
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Cl)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations