Geometry & MOs

Info

ID:	376883
PubChem CID:	134222913
Reduced:	H6O7C9 (1)
Stoich.:	A6B7C9 (1)
Weight, g/mol:	671.239519
ΔH_f, kcal/mol:	-258.89
Dipole, Da:	6.64
IP(EA), eV:	-10.46(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-phenylpyrimidin-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)O)C(=O)O)OC=O)O

DOS

IR

Vibrations