Geometry & MOs

Info

ID:	329138
PubChem CID:	126731364
Reduced:	NC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	415.27563
ΔH_f, kcal/mol:	61.85
Dipole, Da:	1.71
IP(EA), eV:	-8.5(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfinyl-2-[[(Z)-octadec-9-enoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC/C(=N/N(CC1=CC=CC=C1)CC2=CC=CC=C2)/C

DOS

IR

Vibrations