Geometry & MOs

Info

ID:	86882
PubChem CID:	49889886
Reduced:	FINSO6H19C22 (1)
Stoich.:	ABCDE6F19G22 (1)
Weight, g/mol:	533.076693
ΔH_f, kcal/mol:	-206.63
Dipole, Da:	3.37
IP(EA), eV:	-9.03(-1.47)
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-methylbenzenesulfonate

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)OCC(=O)OC

DOS

IR

Vibrations