Geometry & MOs

Info

ID:	387129
PubChem CID:	134984102
Reduced:	FNSCl3O6C14H15 (1)
Stoich.:	ABCD3E6F14G15 (1)
Weight, g/mol:	317.067484
ΔH_f, kcal/mol:	-285.66
Dipole, Da:	2.33
IP(EA), eV:	-10.25(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl (2S,3S)-3-amino-2-chloro-3-(4-methylsulfanylphenyl)propanethioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C(=O)C1=CC=C(C=C1)F)NS(=O)(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations