Geometry & MOs

Info

ID:	442103
PubChem CID:	135249820
Reduced:	SN3H35C44 (1)
Stoich.:	AB3C35D44 (1)
Weight, g/mol:	609.223869
ΔH_f, kcal/mol:	164.37
Dipole, Da:	2.49
IP(EA), eV:	-8.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)C2=NC=C(C=C2)C3=CC4=C(C5=C(N4C6=CC=CC=C6)C=C(C=C5)C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C93)(C)C)C

DOS

IR

Vibrations