Geometry & MOs

Info

ID:	86698
PubChem CID:	49888529
Reduced:	ClNSO4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	662.01392
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	6.54
IP(EA), eV:	-8.78(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-iodophenoxy]-N-(3-chloro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1OC)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations