Geometry & MOs

Info

ID:

127777

PubChem CID:

51014781

Reduced:

O2C11H16 (1)

Stoich.:

A2B11C16 (1)

Weight, g/mol:

473.175084

ΔHf, kcal/mol:

-97.08

Dipole, Da:

5.13

IP(EA), eV:

 -9.88(0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(18S,19S)-19-fluoro-18-(hydroxymethyl)-4-methyl-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione

Drug info:

PubChemData

Smile

CC(C)[C@@]12C[C@](CC=C1)(OC2=O)C

DOS

IR

Vibrations