Geometry & MOs

Info

ID:

414834

PubChem CID:

135087806

Reduced:

ON2C24H26 (1)

Stoich.:

AB2C24D26 (1)

Weight, g/mol:

592.312166

ΔHf, kcal/mol:

13.31

Dipole, Da:

2.42

IP(EA), eV:

 -8.83(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)CC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations