Geometry & MOs

Info

ID:	87583
PubChem CID:	49895626
Reduced:	ClNSO4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	536.117271
ΔH_f, kcal/mol:	-121.36
Dipole, Da:	4.26
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[2-ethoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)Cl)O

DOS

IR

Vibrations