Geometry & MOs

Info

ID:	16594
PubChem CID:	473528
Reduced:	SO2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	284.181001
ΔH_f, kcal/mol:	-131.09
Dipole, Da:	1.3
IP(EA), eV:	-9.01(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyloctyl)-5-hydroxy-2,4-dimethylthiophen-3-one

Drug info:

PubChemData

Smile

CC1=C(SC(C1=O)(C)CCC(C)CCCC(C)C)O

DOS

IR

Vibrations