Geometry & MOs

Info

ID:

420045

PubChem CID:

135110865

Reduced:

O2N3C23H27 (1)

Stoich.:

A2B3C23D27 (1)

Weight, g/mol:

620.307081

ΔHf, kcal/mol:

89.23

Dipole, Da:

3.2

IP(EA), eV:

 -8.85(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14S,17S,20R)-20-benzyl-14-butyl-17-[(1R)-1-hydroxyethyl]-5-oxa-1,10,13,16,19,22,25,26-octazatricyclo[22.2.1.06,11]heptacosa-6(11),7,9,24(27),25-pentaene-12,15,18,21-tetrone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C/C=C/C4=CC=CC=C4

DOS

IR

Vibrations