Geometry & MOs

Info

ID:	171155
PubChem CID:	75336683
Reduced:	ISN2O4H11C17 (1)
Stoich.:	ABC2D4E11F17 (1)
Weight, g/mol:	696.93218
ΔH_f, kcal/mol:	-3.29
Dipole, Da:	6.89
IP(EA), eV:	-9.76(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)[N+](=O)[O-])I

DOS

IR

Vibrations