Geometry & MOs

Info

ID:	86880
PubChem CID:	49889876
Reduced:	FINSO4H23C30 (1)
Stoich.:	ABCDE4F23G30 (1)
Weight, g/mol:	499.055958
ΔH_f, kcal/mol:	-85.54
Dipole, Da:	5.61
IP(EA), eV:	-8.85(-1.38)
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]phenyl] 4-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)I)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations