Geometry & MOs

Info

ID:	86614
PubChem CID:	49887632
Reduced:	ClNSO5H14C22 (1)
Stoich.:	ABCD5E14F22 (1)
Weight, g/mol:	536.117271
ΔH_f, kcal/mol:	-101.28
Dipole, Da:	4.04
IP(EA), eV:	-9.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=CO4)/SC2=O)Cl

DOS

IR

Vibrations