Geometry & MOs

Info

ID:

419948

PubChem CID:

135110084

Reduced:

N2O3C19H26 (1)

Stoich.:

A2B3C19D26 (1)

Weight, g/mol:

714.294404

ΔHf, kcal/mol:

-130.49

Dipole, Da:

3.29

IP(EA), eV:

 -9.06(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6S,9R,12S,18S,20R)-9-benzyl-20-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,11,17-pentaoxo-1,4,7,10,16-pentazabicyclo[16.3.0]henicosan-12-yl]-3-chloro-5-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations