Geometry & MOs

Info

ID:

233116

PubChem CID:

87692427

Reduced:

O2N4H24C25 (1)

Stoich.:

A2B4C24D25 (1)

Weight, g/mol:

780.442178

ΔHf, kcal/mol:

50.25

Dipole, Da:

4.33

IP(EA), eV:

 -8.31(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[4-[[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]-8-methyl-2-propan-2-ylnonanoyl]amino]piperidin-1-yl]-2-oxoethyl]-3-(nitrooxymethyl)benzoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=CC3=C2N=C(N3C4=CC=CC=C4)OC5=CC=CC=C5)C=O

DOS

IR

Vibrations