Geometry & MOs

Info

ID:	309694
PubChem CID:	126554985
Reduced:	FON7H18C24 (1)
Stoich.:	ABC7D18E24 (1)
Weight, g/mol:	462.213103
ΔH_f, kcal/mol:	85.57
Dipole, Da:	6.94
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutyl [5-[[(1Z,3E)-4-carbamoylhexa-1,3,5-trienyl]amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC3=C(CCN=C3C4=NC5=C(N4)C=NC=C5C6=CC(=CC(=C6)F)O)C=C2

DOS

IR

Vibrations