Geometry & MOs

Info

ID:	316847
PubChem CID:	126631868
Reduced:	NOH21C33 (1)
Stoich.:	ABC21D33 (1)
Weight, g/mol:	463.139471
ΔH_f, kcal/mol:	111.37
Dipole, Da:	2.33
IP(EA), eV:	-7.97(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-dibenzothiophen-3-yl-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

Drug info:

PubChemData

Smile

CN1C2=CC=CC(=C2C3=C1C4=CC=CC=C4C5=CC=CC=C53)C6=CC7=C(C=C6)C8=CC=CC=C8O7

DOS

IR

Vibrations