Geometry & MOs

Info

ID:

317994

PubChem CID:

126648228

Reduced:

O3N7C26H33 (1)

Stoich.:

A3B7C26D33 (1)

Weight, g/mol:

609.02786

ΔHf, kcal/mol:

-49.65

Dipole, Da:

1.51

IP(EA), eV:

 -8.19(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-1H-pyrimidin-3-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)NC2=NC3=C(C=CC(=C3)OC4CCN(CC4)C(=O)OC(C)(C)C)N5C2=NC=C5

DOS

IR

Vibrations