Geometry & MOs

Info

ID:

45062

PubChem CID:

10507672

Reduced:

O4H36C41 (1)

Stoich.:

A4B36C41 (1)

Weight, g/mol:

592.394833

ΔHf, kcal/mol:

-49.82

Dipole, Da:

2.37

IP(EA), eV:

 -8.77(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-4,10,11,14-tetramethyl-13-propan-2-yl-3-propyl-1,4,8,11,14,17-hexazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)CC6=CC=CC=C6)O[C@@H](CC7=CC=CC=C7)C(=O)O

DOS

IR

Vibrations