Geometry & MOs

Info

ID:

299964

PubChem CID:

118043580

Reduced:

PS2N3O10C54H60 (1)

Stoich.:

AB2C3D10E54F60 (1)

Weight, g/mol:

854.315795

ΔHf, kcal/mol:

-316.89

Dipole, Da:

10.24

IP(EA), eV:

 -8.67(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-[7,10-bis(3-pyrimidin-5-ylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)O)C(C)(C)C(=C)/C=C/C=C/2\C(C3=C(N2CCCCCC(=O)NCCNC(=O)C4=CC(=C(C=C4)C(=O)OC)P(C5=CC=CC=C5)C6=CC=CC=C6)C=CC(=C3)S(=O)(=O)O)(C)C

DOS

IR

Vibrations