Geometry & MOs

Info

ID:

442940

PubChem CID:

135257005

Reduced:

N3P3C10O12H18 (1)

Stoich.:

A3B3C10D12E18 (1)

Weight, g/mol:

1042.197954

ΔHf, kcal/mol:

-704.76

Dipole, Da:

9.93

IP(EA), eV:

 -9.89(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[4-[3-[1-[[(4S,5R)-4-(azidomethoxy)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-ylidene]methyl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]butoxymethyldisulfanyl]-3-methylbutyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

C1[C@H](OCC1CN2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations