Geometry & MOs

Info

ID:

442190

PubChem CID:

135250393

Reduced:

N2O2H40C47 (1)

Stoich.:

A2B2C40D47 (1)

Weight, g/mol:

746.278942

ΔHf, kcal/mol:

77.04

Dipole, Da:

1.15

IP(EA), eV:

 -8.71(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]-4,4-dimethyl-5H-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=C(C4(C6=CC=CC=C6)C7=CC=CC=C7)C=C(C=C5)C8=CC=C(C=C8)C9=NC(CO9)(C)C)C

DOS

IR

Vibrations