Geometry & MOs

Info

ID:

379100

PubChem CID:

134352365

Reduced:

F2N7O10C41H51 (1)

Stoich.:

A2B7C10D41E51 (1)

Weight, g/mol:

813.33955

ΔHf, kcal/mol:

-466.51

Dipole, Da:

3.16

IP(EA), eV:

 -8.71(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(7-phenylbenzo[a]phenalen-7-yl)phenyl]phenyl]aniline

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)C(=O)N[C@H]3[C@@H](OC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC(=O)[C@@H]5COCCN5C(=O)[C@@H]6C[C@H](CN6C3=O)O)C)C)C

DOS

IR

Vibrations