Geometry & MOs

Info

ID:

180397

PubChem CID:

76627831

Reduced:

N2O14C43H78 (1)

Stoich.:

A2B14C43D78 (1)

Weight, g/mol:

548.096098

ΔHf, kcal/mol:

-693.15

Dipole, Da:

8.42

IP(EA), eV:

 -8.59(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

[[2-benzyl-4-(2,4-dioxo-1,3-diazinan-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidophosphoryl] propyl phosphate

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)C)(C)OC)C)OC3C(C(CC(O3)C)N(C)CCO)N(C)C)(C)OC)C)C)O)(C)O

DOS

IR

Vibrations