Geometry & MOs

Info

ID:	87291
PubChem CID:	49893762
Reduced:	ClSN2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	657.04305
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	3.88
IP(EA), eV:	-8.99(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-iodo-5-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Cl

DOS

IR

Vibrations