Geometry & MOs

Info

ID:

419435

PubChem CID:

135108181

Reduced:

O2N3H21C23 (1)

Stoich.:

A2B3C21D23 (1)

Weight, g/mol:

658.268189

ΔHf, kcal/mol:

-3.71

Dipole, Da:

3.87

IP(EA), eV:

 -8.73(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-2-chloro-6-fluorobenzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CC3=C(N2)C=CC4=CC=CC=C43)O)CC5=CC=NC=C5

DOS

IR

Vibrations