Geometry & MOs

Info

ID:

423287

PubChem CID:

135119236

Reduced:

N5O5C27H33 (1)

Stoich.:

A5B5C27D33 (1)

Weight, g/mol:

587.241166

ΔHf, kcal/mol:

-82.59

Dipole, Da:

3.05

IP(EA), eV:

 -8.42(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-(pyridin-3-ylmethyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.2.2.16,9]pentacosa-1(22),7,9(25),20,23-pentaene-16,19-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2CCN1CC3=C(C(=CC=C3)OC)OCC4=CN(CCOC5=C(C=CC(=C5)C(=O)N2)OC)N=N4

DOS

IR

Vibrations