Geometry & MOs

Info

ID:

296879

PubChem CID:

117598666

Reduced:

O5N6C31H34 (1)

Stoich.:

A5B6C31D34 (1)

Weight, g/mol:

593.310101

ΔHf, kcal/mol:

-103.93

Dipole, Da:

7.55

IP(EA), eV:

 -8.54(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,18R,20R,24S,27S)-19-methyl-24-(1-methylcyclohexyl)-11,22,25-trioxo-2,21-dioxa-4,23,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3(12),5,7,9-tetraene-27-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC(=O)C2=CC(=CC(=C2)OC)NC3=NC=CC(=C3)OC4=CC=C(C5=CC=CC=C54)NC(=O)O

DOS

IR

Vibrations