Geometry & MOs

Info

ID:

170296

PubChem CID:

75214678

Reduced:

N3O4C25H29 (1)

Stoich.:

A3B4C25D29 (1)

Weight, g/mol:

669.182879

ΔHf, kcal/mol:

-126.28

Dipole, Da:

1.17

IP(EA), eV:

 -9.6(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl [[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate;N,N-diethylethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(C(=O)NC(C2=O)COCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations