Geometry & MOs

Info

ID:	87099
PubChem CID:	49892033
Reduced:	FNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	506.131171
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	2.44
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CO1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F

DOS

IR

Vibrations