Geometry & MOs

Info

ID:	179679
PubChem CID:	76518393
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	669.361504
ΔH_f, kcal/mol:	-37.65
Dipole, Da:	4.3
IP(EA), eV:	-9.49(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3-hexadecanoyloxy-2-hexanoyloxypropyl) (2,3,4,5,6-pentahydroxycyclohexyl) phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2C(C(C(N2)C3=CN=C4C3N=CNC4=O)O)O

DOS

IR

Vibrations