Geometry & MOs

Info

ID:	87109
PubChem CID:	49892165
Reduced:	FSN2O3H19C23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	510.081634
ΔH_f, kcal/mol:	-97.2
Dipole, Da:	7.58
IP(EA), eV:	-8.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)O)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F

DOS

IR

Vibrations