Geometry & MOs

Info

ID:	89821
PubChem CID:	49964840
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	476.163517
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	5.41
IP(EA), eV:	-8.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-ethoxyphenyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CC=C3

DOS

IR

Vibrations