Geometry & MOs

Info

ID:	233038
PubChem CID:	87691639
Reduced:	ClNS2O8C12H26 (1)
Stoich.:	ABC2D8E12F26 (1)
Weight, g/mol:	289.075072
ΔH_f, kcal/mol:	-342.3
Dipole, Da:	6.78
IP(EA), eV:	-9.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(chloroamino)-3-methylbutyl]sulfonylbutane-1,2,4-triol

Drug info:

PubChemData

Smile

CC(C)(CS(=O)(=O)CCOCCOCCOCCS(=O)(=O)O)NCl

DOS

IR

Vibrations