Geometry & MOs

Info

ID:	84481
PubChem CID:	49866753
Reduced:	PSN3O6C9H14 (1)
Stoich.:	ABC3D6E9F14 (1)
Weight, g/mol:	221.054421
ΔH_f, kcal/mol:	-308.47
Dipole, Da:	6.39
IP(EA), eV:	-9.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-(cyclopentyldisulfanyl)propanoic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O

DOS

IR

Vibrations