Geometry & MOs

Info

ID:

423818

PubChem CID:

135120353

Reduced:

NO5C18H21 (1)

Stoich.:

AB5C18D21 (1)

Weight, g/mol:

741.384997

ΔHf, kcal/mol:

-180.79

Dipole, Da:

6.02

IP(EA), eV:

 -9.63(-0.71)

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]-2,6-dimethylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N1C[C@]2(C[C@]2(C1)C(=O)O)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations