Geometry & MOs

Info

ID:	435648
PubChem CID:	135192055
Reduced:	NPSO2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	613.19893
ΔH_f, kcal/mol:	5.01
Dipole, Da:	5.08
IP(EA), eV:	-9.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-cyano-3-[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-3-methoxyphenoxy]propan-2-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=P)OC(=N)C(=O)S

DOS

IR

Vibrations