Geometry & MOs

Info

ID:	383897
PubChem CID:	134975934
Reduced:	LiOC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	115.993201
ΔH_f, kcal/mol:	-60.29
Dipole, Da:	4.82
IP(EA), eV:	-6.84(3.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-sulfanylprop-2-ynoate

Drug info:

PubChemData

Smile

[Li+].CC(C)C[CH-]C(C)(C)COC

DOS

IR

Vibrations