Geometry & MOs

Info

ID:

320265

PubChem CID:

126659088

Reduced:

OF3N5H18C20 (1)

Stoich.:

AB3C5D18E20 (1)

Weight, g/mol:

877.320546

ΔHf, kcal/mol:

-123.81

Dipole, Da:

5.08

IP(EA), eV:

 -9.48(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,16-bis(4-cyano-2-methylphenyl)-25-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene-10-carbonitrile

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1)NC2=NC=NC3=C2C=CC=C3C(=O)N)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations