Geometry & MOs

Info

ID:

415472

PubChem CID:

135088467

Reduced:

O2N3C21H23 (1)

Stoich.:

A2B3C21D23 (1)

Weight, g/mol:

742.380246

ΔHf, kcal/mol:

0.59

Dipole, Da:

5.44

IP(EA), eV:

 -9.27(-0.66)

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]-2,3-dimethylquinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

C1CO[C@@H]([C@H](N1CC2=CC=C(C=C2)N3C=CN=C3)C4=CC=CC=C4)CO

DOS

IR

Vibrations