Geometry & MOs

Info

ID:

449698

PubChem CID:

135300744

Reduced:

OSN8H20C26 (1)

Stoich.:

ABC8D20E26 (1)

Weight, g/mol:

674.354866

ΔHf, kcal/mol:

192.72

Dipole, Da:

8.55

IP(EA), eV:

 -8.46(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-methoxy-16-[2-(2-methylphenyl)phenyl]nonacyclo[18.14.1.11,14.120,33.02,7.08,13.016,35.021,26.027,32]heptatriaconta-2,4,6,8,10,12,21(26),22,24,27,29,31-dodecaene

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1C2=CC=C(S2)C3=CC=NC4=NC(=C5C6=C(C=CC(=N6)C7=CC1=CN=C7)NN5)N=C34

DOS

IR

Vibrations