Geometry & MOs

Info

ID:	149007
PubChem CID:	53788678
Reduced:	ClSN2O2C6H9 (1)
Stoich.:	ABC2D2E6F9 (1)
Weight, g/mol:	249.103479
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	4.37
IP(EA), eV:	-8.7(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(hydroxymethyl)-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1S(=O)OC)Cl)C

DOS

IR

Vibrations