Geometry & MOs

Info

ID:

420061

PubChem CID:

135110953

Reduced:

O3N4H22C23 (1)

Stoich.:

A3B4C22D23 (1)

Weight, g/mol:

708.327148

ΔHf, kcal/mol:

6.11

Dipole, Da:

6.97

IP(EA), eV:

 -8.79(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,9R,12S,15S,17R)-17-hydroxy-3-(1H-indol-3-ylmethyl)-12-methyl-9-phenyl-7-(4-propan-2-yloxybenzoyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

C1COCCN1C2=NOC(=C2C(=O)NCC3=C4C=CNC4=CC=C3)C5=CC=CC=C5

DOS

IR

Vibrations