Geometry & MOs

Info

ID:	216284
PubChem CID:	85085987
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	249.139865
ΔH_f, kcal/mol:	45.31
Dipole, Da:	5.11
IP(EA), eV:	-8.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 3-amino-5-ethylsulfanyl-2-hydroxypentanoate

Drug info:

PubChemData

Smile

CCCCCN1C2=CC=CC=C2SC1=NN=O

DOS

IR

Vibrations