Geometry & MOs

Info

ID:

415137

PubChem CID:

135088123

Reduced:

N2O3C19H22 (1)

Stoich.:

A2B3C19D22 (1)

Weight, g/mol:

554.231139

ΔHf, kcal/mol:

-82.38

Dipole, Da:

4.85

IP(EA), eV:

 -9.28(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations