Geometry & MOs

Info

ID:

320281

PubChem CID:

126659228

Reduced:

NC23H45 (1)

Stoich.:

AB23C45 (1)

Weight, g/mol:

826.309647

ΔHf, kcal/mol:

-64.44

Dipole, Da:

1.1

IP(EA), eV:

-8.49(1.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[16-[(2E,4E)-5-cyanohexa-2,4-dien-2-yl]-25-[4-(2-phenylbenzimidazol-1-yl)phenyl]-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(28),2(19),3,5(14),6,8,10,12,15,17,20,22,24,26-tetradecaenyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCN(C)C(CC(C1CCCCCC(C1)C)C(C)C)C(=C)C

DOS

IR

Vibrations