Geometry & MOs

Info

ID:	171261
PubChem CID:	75350863
Reduced:	NSO4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	695.97332
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	3.99
IP(EA), eV:	-8.62(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-iodo-6-methoxy-4-[[3-[2-(4-methylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2C(=O)C(=CC3=CC(=CC=C3)OC)SC2=O

DOS

IR

Vibrations