Geometry & MOs

Info

ID:

415818

PubChem CID:

135088819

Reduced:

FNO4C18H26 (1)

Stoich.:

ABC4D18E26 (1)

Weight, g/mol:

597.306353

ΔHf, kcal/mol:

-221.96

Dipole, Da:

4.21

IP(EA), eV:

 -8.51(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=C(C=C(C=C3)F)OC)O

DOS

IR

Vibrations