Geometry & MOs

Info

ID:	233034
PubChem CID:	87691593
Reduced:	AsSN2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	251.09532
ΔH_f, kcal/mol:	145.91
Dipole, Da:	2.82
IP(EA), eV:	-8.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-carboxy-2,3-dihydroxy-1-(oxolan-2-yl)propyl]-dimethylsulfanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(N2C3=CC=NC=C3)[As]

DOS

IR

Vibrations