Geometry & MOs

Info

ID:

397485

PubChem CID:

135030276

Reduced:

H7C8 (4)

Stoich.:

A7B8 (4)

Weight, g/mol:

493.315186

ΔHf, kcal/mol:

83.64

Dipole, Da:

0.45

IP(EA), eV:

 -8.33(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9E,14R,15R)-14-(2-hydroxyethyl)-6-methyl-11-methylidene-15-[(2S)-octan-2-yl]-3-propan-2-yl-1-oxa-4,7,12-triazacyclopentadec-9-ene-2,5,8,13-tetrone

Drug info:

PubChemData

Smile

C1CC2=CC=C(CCC3=C4C(=C(CCC5=CC=C1C=C5)C=C3)C=CC6=CC=CC=C64)C=C2

DOS

IR

Vibrations