Geometry & MOs

Info

ID:

423039

PubChem CID:

135118825

Reduced:

O2N3C20H25 (1)

Stoich.:

A2B3C20D25 (1)

Weight, g/mol:

632.262629

ΔHf, kcal/mol:

-44.61

Dipole, Da:

5.3

IP(EA), eV:

 -8.86(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-[3-(5-methylpyrazol-1-yl)propanoyl]-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

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC4=CC=CC=C4C=N3)CO

DOS

IR

Vibrations