Geometry & MOs

Info

ID:	231530
PubChem CID:	87574053
Reduced:	SO4C6H12 (1)
Stoich.:	AB4C6D12 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-149.71
Dipole, Da:	3.28
IP(EA), eV:	-10.55(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-amino-6-(3-aminophenyl)phenoxy] ethanethioate

Drug info:

PubChemData

Smile

CCOS(=O)(=O)CCC1CO1

DOS

IR

Vibrations