Geometry & MOs

Info

ID:

215542

PubChem CID:

85084886

Reduced:

S2O11N15C42H63 (1)

Stoich.:

A2B11C15D42E63 (1)

Weight, g/mol:

1020.614007

ΔHf, kcal/mol:

-440.86

Dipole, Da:

11.48

IP(EA), eV:

 -8.93(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] (3,4,5-trihydroxyoxan-2-yl) phosphate;tetrabutylazanium

Drug info:

PubChemData

Smile

C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N2C1)N)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC4=CC=CC=C4

DOS

IR

Vibrations