Geometry & MOs

Info

ID:

422413

PubChem CID:

135117794

Reduced:

NO2C10H15 (2)

Stoich.:

AB2C10D15 (2)

Weight, g/mol:

710.294324

ΔHf, kcal/mol:

-160.84

Dipole, Da:

5.24

IP(EA), eV:

 -8.34(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14S,21S,24R)-24-benzyl-8-chloro-21-[(1R)-1-hydroxyethyl]-14-propyl-5-oxa-1,13,16,20,23,26,29,30-octazatricyclo[26.2.1.06,11]hentriaconta-6(11),7,9,28(31),29-pentaene-12,15,19,22,25-pentone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)CN2CCC[C@@]3(C2)CCC[C@H]3O)OC

DOS

IR

Vibrations