Geometry & MOs

Info

ID:	211497
PubChem CID:	81044111
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	302.166414
ΔH_f, kcal/mol:	-207.62
Dipole, Da:	6.9
IP(EA), eV:	-9.08(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methylsulfanyl-2-(3-piperidin-3-ylbutanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)N1CC(CC1C(=O)O)O)C2CCCNC2

DOS

IR

Vibrations