Geometry & MOs

Info

ID:	446643
PubChem CID:	135276603
Reduced:	ON7H23C24 (1)
Stoich.:	AB7C23D24 (1)
Weight, g/mol:	244.059172
ΔH_f, kcal/mol:	126.55
Dipole, Da:	11.62
IP(EA), eV:	-8.47(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbutan-2-ylsulfanylsulfonylbenzene

Drug info:

PubChemData

Smile

C1CCC(C1)C(NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/C=C6C=NC=CC6=N5)O

DOS

IR

Vibrations