Geometry & MOs

Info

ID:	232532
PubChem CID:	87576379
Reduced:	ON2C21H24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	177.08235
ΔH_f, kcal/mol:	-16.5
Dipole, Da:	3.81
IP(EA), eV:	-8.49(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-sulfanylheptanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(=C1C)C2=CNC3=CC=CC=C32)C)C)C(=O)NC

DOS

IR

Vibrations