Geometry & MOs

Info

ID:

215754

PubChem CID:

85085204

Reduced:

P3N13O18C62H104 (1)

Stoich.:

A3B13C18D62E104 (1)

Weight, g/mol:

1419.615327

ΔHf, kcal/mol:

-924.16

Dipole, Da:

4.15

IP(EA), eV:

 -8.89(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[4-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzamide

Drug info:

PubChemData

Smile

CP(=O)(CN1CCN(CCN(CCN(CC1)CP(=O)(C)O)CP(=O)(C)O)CC(=O)NCCCCNC(=O)CCC(=O)NCCCCC(CN(CCNC(=O)CCCCCN2C(=O)C=CC2=O)C(=O)CCCCCN3C(=O)C=CC3=O)NC(=O)CCCCCN4C(=O)C=CC4=O)O

DOS

IR

Vibrations