Geometry & MOs

Info

ID:

393805

PubChem CID:

135021720

Reduced:

O2H14C17 (1)

Stoich.:

A2B14C17 (1)

Weight, g/mol:

729.408812

ΔHf, kcal/mol:

-18.62

Dipole, Da:

3.15

IP(EA), eV:

 -9.64(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)C1(CC3=CC=CC=C3)C=O

DOS

IR

Vibrations