Geometry & MOs

Info

ID:	407813
PubChem CID:	135080568
Reduced:	OSC14H18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	192.037388
ΔH_f, kcal/mol:	12.05
Dipole, Da:	4.43
IP(EA), eV:	-8.29(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC(=C=CC)S(=O)C1=CC=CC=C1

DOS

IR

Vibrations