Geometry & MOs

Info

ID:	50707
PubChem CID:	12013286
Reduced:	SN2O2H14C18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	246.046299
ΔH_f, kcal/mol:	49.47
Dipole, Da:	5.66
IP(EA), eV:	-8.31(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfonyl-5,7-diazatricyclo[6.5.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C(=CC2=C1N=C3C2=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations