Geometry & MOs

Info

ID:

415687

PubChem CID:

135088686

Reduced:

O2N6C17H24 (1)

Stoich.:

A2B6C17D24 (1)

Weight, g/mol:

760.390811

ΔHf, kcal/mol:

-38.13

Dipole, Da:

4.63

IP(EA), eV:

 -9.16(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14S,21S,24R)-24-benzyl-14-(cyclohexylmethyl)-21-[(1R)-1-hydroxyethyl]-7-methoxy-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

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CN=C(N=C3)NC(C)C

DOS

IR

Vibrations