Geometry & MOs

Info

ID:	88120
PubChem CID:	49901604
Reduced:	NSCl2I2O3H15C24 (1)
Stoich.:	ABC2D2E3F15G24 (1)
Weight, g/mol:	668.98737
ΔH_f, kcal/mol:	-6.78
Dipole, Da:	5.51
IP(EA), eV:	-9.28(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)I

DOS

IR

Vibrations