Geometry & MOs

Info

ID:

316553

PubChem CID:

126631222

Reduced:

N2H22C29 (1)

Stoich.:

A2B22C29 (1)

Weight, g/mol:

567.34207

ΔHf, kcal/mol:

126.34

Dipole, Da:

2.86

IP(EA), eV:

 -7.89(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,10E,12Z,13E,17R,20S)-16-ethenyl-12-ethylidene-3,9,17-trimethyl-6-propan-2-yl-14-prop-1-en-2-yl-18-oxa-1,4,7,15,24-pentazabicyclo[18.3.1]tetracosa-10,13,15-triene-2,5,8,19-tetrone

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC3=C(C=C2)C4=C(N3C5=CC=CC=C5)C=CC6=CC=CC=C64

DOS

IR

Vibrations