Geometry & MOs

Info

ID:	255761
PubChem CID:	103134589
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	219.092915
ΔH_f, kcal/mol:	46.03
Dipole, Da:	2.25
IP(EA), eV:	-8.91(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-[(5-methyloxolan-2-yl)methylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(C2=NN(C=C2)C)NC

DOS

IR

Vibrations