Geometry & MOs

Info

ID:

414275

PubChem CID:

135087231

Reduced:

O2N4C21H28 (1)

Stoich.:

A2B4C21D28 (1)

Weight, g/mol:

668.332233

ΔHf, kcal/mol:

-46.58

Dipole, Da:

3.36

IP(EA), eV:

 -8.65(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-9-benzyl-13-(cyclopropylmethyl)-15-[(1R)-1-hydroxyethyl]-4-(pyridin-2-ylmethyl)-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCC(C3)(C4=CC=CC=C4C)O

DOS

IR

Vibrations