Geometry & MOs

Info

ID:	255763
PubChem CID:	103134599
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	275.119129
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	3.92
IP(EA), eV:	-8.9(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-4-[(5-methyloxolan-2-yl)methylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CC1CC(CO1)C(C2=NN(C=C2)C)NC

DOS

IR

Vibrations