Geometry & MOs

Info

ID:	229785
PubChem CID:	87569008
Reduced:	O2C14H27 (2)
Stoich.:	A2B14C27 (2)
Weight, g/mol:	179.061614
ΔH_f, kcal/mol:	-280.98
Dipole, Da:	7.05
IP(EA), eV:	-10.42(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1-hydroxypropylamino)-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(CC(C)CC(C)(C)C)(C(=O)O)C(C(C)CC)(C(C)CC)C(=O)O

DOS

IR

Vibrations