Geometry & MOs

Info

ID:	216073
PubChem CID:	85085670
Reduced:	OH14C16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	222.071451
ΔH_f, kcal/mol:	35.59
Dipole, Da:	3.24
IP(EA), eV:	-9.37(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpent-4-ynylsulfonylbenzene

Drug info:

PubChemData

Smile

C1C2C=CC1C3C2C=CC4=CC=CC=C4C3=O

DOS

IR

Vibrations