Geometry & MOs

Info

ID:	50649
PubChem CID:	12013214
Reduced:	S2O3C15H28 (1)
Stoich.:	A2B3C15D28 (1)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-182.14
Dipole, Da:	3.15
IP(EA), eV:	-8.71(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-methylheptan-3-one

Drug info:

PubChemData

Smile

C[C@H](C[C@@H](C(C)C)O)OC(=O)CCCC1SCCCS1

DOS

IR

Vibrations