Geometry & MOs

Info

ID:	171176
PubChem CID:	75339360
Reduced:	ClNS2O4H14C19 (1)
Stoich.:	ABC2D4E14F19 (1)
Weight, g/mol:	789.88014
ΔH_f, kcal/mol:	-106.13
Dipole, Da:	2.47
IP(EA), eV:	-8.97(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-iodo-4-[[3-[(4-iodophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

COC(=O)CN1C(=O)C(=CC2=CC=CC=C2SC3=CC=C(C=C3)Cl)SC1=O

DOS

IR

Vibrations