Geometry & MOs

Info

ID:	404225
PubChem CID:	135065499
Reduced:	OSC16H22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	451.207989
ΔH_f, kcal/mol:	1.82
Dipole, Da:	4.45
IP(EA), eV:	-8.34(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations