Geometry & MOs

Info

ID:	249428
PubChem CID:	103089377
Reduced:	NSO3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-152.55
Dipole, Da:	4.45
IP(EA), eV:	-8.74(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[acetyl(propan-2-yl)amino]-5-methylsulfanylpentanoic acid

Drug info:

PubChemData

Smile

CCN(C(CCCSC)C(=O)O)C(=O)C

DOS

IR

Vibrations