Geometry & MOs

Info

ID:	87918
PubChem CID:	49898596
Reduced:	SN2O4H16C23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	704.95435
ΔH_f, kcal/mol:	9.72
Dipole, Da:	5.09
IP(EA), eV:	-8.92(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-6-iodo-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C=C/C4=CC=CC=C4[N+](=O)[O-])/SC3=O

DOS

IR

Vibrations