Geometry & MOs

Info

ID:	427345
PubChem CID:	135157443
Reduced:	NO2S2H3C4 (1)
Stoich.:	AB2C2D3E4 (1)
Weight, g/mol:	324.212301
ΔH_f, kcal/mol:	-60.73
Dipole, Da:	2.24
IP(EA), eV:	-9.43(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-tributyl-2-methylsulfonylbenzene

Drug info:

PubChemData

Smile

C(=C\1/C(=O)NC(=O)S1)\S

DOS

IR

Vibrations