Geometry & MOs

Info

ID:	162334
PubChem CID:	57394333
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	408.09662
ΔH_f, kcal/mol:	94.49
Dipole, Da:	8.93
IP(EA), eV:	-8.3(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzothiophen-3-ylsulfonyl)-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

Drug info:

PubChemData

Smile

CN1C2=C(C3CCC(C2)N3)C4=C1C=CC(=C4)S(=O)(=O)C5=CNC6=CC=CC=C65

DOS

IR

Vibrations