Geometry & MOs

Info

ID:	389707
PubChem CID:	134994557
Reduced:	NC12H25 (1)
Stoich.:	AB12C25 (1)
Weight, g/mol:	251.038292
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	1.17
IP(EA), eV:	-8.35(2.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-[acetyl(2-chlorosulfanylethyl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CCCCCN1CCCCCC1C

DOS

IR

Vibrations