Geometry & MOs

Info

ID:	88018
PubChem CID:	49899900
Reduced:	INSCl2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	529.075072
ΔH_f, kcal/mol:	-62.29
Dipole, Da:	5.41
IP(EA), eV:	-9.14(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations