Geometry & MOs

Info

ID:

299490

PubChem CID:

117686945

Reduced:

OF2N5H13C21 (1)

Stoich.:

AB2C5D13E21 (1)

Weight, g/mol:

976.491419

ΔHf, kcal/mol:

2.0

Dipole, Da:

4.6

IP(EA), eV:

 -9.36(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]-8,14,20-tris(4-propan-2-ylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-4,6,10,12,16,18,22,24-octol

Drug info:

PubChemData

Smile

C1=CNC2=NC=C(C=C21)C3=CC(=C(C(=C3)F)CN4C5=C(C=NC=C5)N=CC4=O)F

DOS

IR

Vibrations