Geometry & MOs

Info

ID:

186648

PubChem CID:

77461369

Reduced:

NOC4H7 (3)

Stoich.:

ABC4D7 (3)

Weight, g/mol:

759.025546

ΔHf, kcal/mol:

-149.08

Dipole, Da:

5.79

IP(EA), eV:

-9.23(0.01)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methoxyamino)-2-oxo-4,5-dihydropyrimidin-3-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CCCN2CCC(=O)NC2=O)CO

DOS

IR

Vibrations