Geometry & MOs

Info

ID:

420427

PubChem CID:

135113061

Reduced:

N2O2C25H28 (1)

Stoich.:

A2B2C25D28 (1)

Weight, g/mol:

645.363868

ΔHf, kcal/mol:

-43.04

Dipole, Da:

5.68

IP(EA), eV:

 -9.25(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,12S,15S)-3-benzyl-9,12,13-trimethyl-15-(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13,16,25-heptazatricyclo[16.7.0.019,24]pentacosa-18,20,22,24-tetraene-5,8,11,14,17-pentone

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N1C[C@H]([C@@H](C1)O)CC2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4

DOS

IR

Vibrations