Geometry & MOs

Info

ID:	339867
PubChem CID:	127261876
Reduced:	N2S2O5C9H16 (1)
Stoich.:	A2B2C5D9E16 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-218.94
Dipole, Da:	7.06
IP(EA), eV:	-9.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-[(1R)-2-hydroxy-1-(3-methylphenyl)ethyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSCSC[C@@H](C(=O)O)N)C(=O)O

DOS

IR

Vibrations