Geometry & MOs

Info

ID:

416261

PubChem CID:

135089273

Reduced:

N2O3C22H28 (1)

Stoich.:

A2B3C22D28 (1)

Weight, g/mol:

758.375161

ΔHf, kcal/mol:

-93.65

Dipole, Da:

5.56

IP(EA), eV:

 -8.0(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=C2C(=C(C=C1)OC)C=CC=C2OC)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations