Geometry & MOs

Info

ID:

442152

PubChem CID:

135250128

Reduced:

S2N3H45C48 (1)

Stoich.:

A2B3C45D48 (1)

Weight, g/mol:

641.279075

ΔHf, kcal/mol:

125.96

Dipole, Da:

4.33

IP(EA), eV:

 -8.1(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[9-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)pyridin-2-yl]-7-phenylbenzo[c]carbazol-5-yl]pyridin-3-yl]-5,5-dimethyl-4H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)C2=CC=CC(=C2)C3=CC4=C(C=C3)C5=C(N4C6=CC=CC=C6)C=C(C7=CC=CC=C75)C8=CC(=CC=C8)C9=NC(C(S9)(C)C)(C)C)(C)C)C

DOS

IR

Vibrations