Geometry & MOs

Info

ID:	87878
PubChem CID:	49898290
Reduced:	INSO4H20C24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	531.08103
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	4.06
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)I)OC

DOS

IR

Vibrations