Geometry & MOs

Info

ID:	87173
PubChem CID:	49892875
Reduced:	NSCl2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	638.9171
ΔH_f, kcal/mol:	-89.01
Dipole, Da:	2.29
IP(EA), eV:	-9.07(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl)OC

DOS

IR

Vibrations