Geometry & MOs

Info

ID:	410827
PubChem CID:	135083628
Reduced:	LiO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	217.077265
ΔH_f, kcal/mol:	-72.93
Dipole, Da:	4.78
IP(EA), eV:	-7.49(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-acetamido-5-methylsulfanylpent-2-enoate

Drug info:

PubChemData

Smile

[Li+].CCCC(C=[CH-])OCOC

DOS

IR

Vibrations