Geometry & MOs

Info

ID:	377142
PubChem CID:	134223180
Reduced:	SN2H28C41 (1)
Stoich.:	AB2C28D41 (1)
Weight, g/mol:	671.239519
ΔH_f, kcal/mol:	188.79
Dipole, Da:	2.91
IP(EA), eV:	-8.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[9-[3-[3-[[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]methyl]phenyl]phenyl]carbazol-3-yl]pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

C1C=CC(=CC1N2C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC(=C5)C6=CC(=CC=C6)C7=NC=CC8=C7SC9=CC=CC=C89

DOS

IR

Vibrations