Geometry & MOs

Info

ID:	233189
PubChem CID:	87793065
Reduced:	ClNaC4O4H6 (1)
Stoich.:	ABC4D4E6 (1)
Weight, g/mol:	197.018036
ΔH_f, kcal/mol:	-234.89
Dipole, Da:	5.55
IP(EA), eV:	-7.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-methylsulfanyl-1-(3-sulfanyloxydioxiran-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

[CH2-]C(=O)O.C(C(=O)O)Cl.[Na+]

DOS

IR

Vibrations