Geometry & MOs

Info

ID:

420127

PubChem CID:

135111316

Reduced:

N2O3C20H30 (1)

Stoich.:

A2B3C20D30 (1)

Weight, g/mol:

714.317726

ΔHf, kcal/mol:

-130.01

Dipole, Da:

3.46

IP(EA), eV:

 -8.87(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S,7R,10S,13R,16S)-4-benzyl-10-[(1R)-1-hydroxyethyl]-13-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]-3-cyano-5-fluorobenzamide

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations