Geometry & MOs

Info

ID:

324101

PubChem CID:

126676922

Reduced:

O3N4C28H38 (1)

Stoich.:

A3B4C28D38 (1)

Weight, g/mol:

607.01221

ΔHf, kcal/mol:

-74.57

Dipole, Da:

2.34

IP(EA), eV:

 -8.56(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2R)-2-[[[(1R,3R,4R,5S)-4-bromo-4-chloro-3-(2,4-dioxopyrimidin-1-yl)-5-hydroxy-2-oxabicyclo[3.1.0]hexan-6-yl]oxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CCC/C=C(/C1=CC(=CN(C1=O)CC2=CC=CC(=C2)CCN3CCOCC3)C(=O)NC4CC4)\NC

DOS

IR

Vibrations