Geometry & MOs

Info

ID:

315851

PubChem CID:

126629076

Reduced:

O2N3H15C26 (1)

Stoich.:

A2B3C15D26 (1)

Weight, g/mol:

536.263485

ΔHf, kcal/mol:

94.6

Dipole, Da:

4.29

IP(EA), eV:

 -9.5(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10S,16S,19S)-7,16-dimethyl-19-propan-2-yl-8,23-dioxa-14,17,20,29-tetrazatetracyclo[22.2.2.12,6.110,14]triaconta-1(27),2(30),3,5,24(28),25-hexaene-9,15,18,21-tetrone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=C3C(=N2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations