Geometry & MOs

Info

ID:	413727
PubChem CID:	135086677
Reduced:	S2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	324.118401
ΔH_f, kcal/mol:	-8.87
Dipole, Da:	6.09
IP(EA), eV:	-8.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(benzenesulfonylmethyl)hex-3-en-1-ynyl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC(=CC#CC1=CC=C(C=C1)OC)CS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations