Geometry & MOs

Info

ID:	376540
PubChem CID:	134222558
Reduced:	FO3N8C24H27 (1)
Stoich.:	AB3C8D24E27 (1)
Weight, g/mol:	687.270819
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	6.22
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-buta-1,3-dienyl]-1-[4-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]-3,5-dimethyl-5,6-dihydroindole

Drug info:

PubChemData

Smile

C1C(CN(C1C(NC23CC2CNC3)O)C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F

DOS

IR

Vibrations