Geometry & MOs

Info

ID:	221860
PubChem CID:	85291445
Reduced:	OC19H26 (1)
Stoich.:	AB19C26 (1)
Weight, g/mol:	270.074822
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	1.6
IP(EA), eV:	-9.27(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(1-methylsulfanylpent-1-enylsulfonyl)benzene

Drug info:

PubChemData

Smile

C=C(CC1CCCCC1)CC(C=CC2=CC=CC=C2)O

DOS

IR

Vibrations