Geometry & MOs

Info

ID:

48740

PubChem CID:

11528283

Reduced:

P4N20O25C41H52 (1)

Stoich.:

A4B20C25D41E52 (1)

Weight, g/mol:

1351.286416

ΔHf, kcal/mol:

-1067.94

Dipole, Da:

12.85

IP(EA), eV:

 -8.84(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,2,4,7,8-pentahexadecyl-3,4-dihydrochromen-6-yl) dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C(N=CN=C65)N)COP(=O)(CO[C@@H]7[C@H]([C@H](O[C@H]7N8C=NC9=C(N=CN=C98)N)COP(=O)(O)O[C@@H]1[C@@H]([C@H](O[C@H]1N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O)O)O)O)O)O)O)N

DOS

IR

Vibrations