Geometry & MOs

Info

ID:	436731
PubChem CID:	135208361
Reduced:	NOC17H35 (1)
Stoich.:	ABC17D35 (1)
Weight, g/mol:	280.149701
ΔH_f, kcal/mol:	-126.24
Dipole, Da:	3.67
IP(EA), eV:	-9.66(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-hydroxyphenyl)methyl]-2,2,5-trimethyl-5-sulfanylhexan-3-one

Drug info:

PubChemData

Smile

CCCCCCC(C)(CCCCC)C(=O)NC(C)C

DOS

IR

Vibrations