Geometry & MOs

Info

ID:	169002
PubChem CID:	75054345
Reduced:	F3N3O3C17H18 (1)
Stoich.:	A3B3C3D17E18 (1)
Weight, g/mol:	611.367532
ΔH_f, kcal/mol:	-168.56
Dipole, Da:	4.86
IP(EA), eV:	-9.51(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-octadecoxypropoxy)phosphinate

Drug info:

PubChemData

Smile

C1CCC(C(C1)CN2C=CN=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations