Geometry & MOs

Info

ID:	86560
PubChem CID:	49887104
Reduced:	ClNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	446.070321
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	4.61
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations