Geometry & MOs

Info

ID:

419574

PubChem CID:

135108431

Reduced:

NO4C24H25 (1)

Stoich.:

AB4C24D25 (1)

Weight, g/mol:

607.26738

ΔHf, kcal/mol:

-124.98

Dipole, Da:

7.92

IP(EA), eV:

 -9.04(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-[(3R)-piperidine-3-carbonyl]-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

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=CC=CC5=C4CCC5=O)OCC2

DOS

IR

Vibrations