Geometry & MOs

Info

ID:	383953
PubChem CID:	134976042
Reduced:	LiSO2C6H9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	10.38
IP(EA), eV:	-7.46(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4S)-4-ethyl-3-methyl-5-oxoheptanoate

Drug info:

PubChemData

Smile

[Li+].COC(=O)/C=C/[CH-]SC

DOS

IR

Vibrations