Geometry & MOs

Info

ID:	162333
PubChem CID:	57394332
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	91.63
Dipole, Da:	7.8
IP(EA), eV:	-8.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indol-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=CC=CC=N5

DOS

IR

Vibrations