Geometry & MOs

Info

ID:	288036
PubChem CID:	104309257
Reduced:	ClNOSC10H10 (1)
Stoich.:	ABCDE10F10 (1)
Weight, g/mol:	231.066221
ΔH_f, kcal/mol:	1.41
Dipole, Da:	6.17
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1SCC(C#N)Cl

DOS

IR

Vibrations