Geometry & MOs

Info

ID:	188587
PubChem CID:	77738352
Reduced:	FNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	359.077004
ΔH_f, kcal/mol:	-145.17
Dipole, Da:	2.43
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-(1-oxo-3,4-dihydroisoquinolin-2-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC(=C2CCCC(=CC(=O)NC3=C(C=C(C=C3)F)C(=O)O)C2=C1)C

DOS

IR

Vibrations