Geometry & MOs

Info

ID:

79954

PubChem CID:

49831794

Reduced:

N3O3C19H21 (1)

Stoich.:

A3B3C19D21 (1)

Weight, g/mol:

470.105009

ΔHf, kcal/mol:

-77.67

Dipole, Da:

4.54

IP(EA), eV:

 -8.73(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R,3S)-1-amino-4-carbamoyloxy-2,3-dihydroxybutyl]-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1)O

DOS

IR

Vibrations