Geometry & MOs

Info

ID:	87075
PubChem CID:	49891633
Reduced:	ClFNSO3H17C24 (1)
Stoich.:	ABCDE3F17G24 (1)
Weight, g/mol:	510.081634
ΔH_f, kcal/mol:	-85.24
Dipole, Da:	4.07
IP(EA), eV:	-9.27(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=C(C=C4)Cl)/SC2=O)F

DOS

IR

Vibrations