Geometry & MOs

Info

ID:	86737
PubChem CID:	49888783
Reduced:	ClNSO5H18C25 (1)
Stoich.:	ABCD5E18F25 (1)
Weight, g/mol:	542.046998
ΔH_f, kcal/mol:	-120.21
Dipole, Da:	7.94
IP(EA), eV:	-9.22(-1.27)
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-chloro-6-methoxyphenoxy]-N-(2-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations