Geometry & MOs

Info

ID:

442191

PubChem CID:

135250414

Reduced:

N2S2H42C51 (1)

Stoich.:

A2B2C42D51 (1)

Weight, g/mol:

716.315127

ΔHf, kcal/mol:

175.36

Dipole, Da:

0.81

IP(EA), eV:

 -8.49(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[3-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-3-yl]-11,11-diphenylbenzo[a]fluoren-9-yl]pyridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(CSC(=N1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(C5(C7=CC=CC=C7)C8=CC=CC=C8)C=C(C=C6)C9=CC=C(C=C9)C1=NC(CS1)(C)C)C

DOS

IR

Vibrations