Geometry & MOs

Info

ID:	435687
PubChem CID:	135192158
Reduced:	SN2O3F4C22H24 (1)
Stoich.:	AB2C3D4E22F24 (1)
Weight, g/mol:	514.247915
ΔH_f, kcal/mol:	-289.56
Dipole, Da:	3.29
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[5-[[(E)-3-fluoro-4-methylpent-2-en-2-yl]oxymethyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-3-methoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CCCN1C(=O)CC(C2=C1C=CC(=C2)NS(=O)(=O)CC3=C(C(=C(C(=C3F)F)C)F)F)(C)C

DOS

IR

Vibrations