Geometry & MOs

Info

ID:	278324
PubChem CID:	103834830
Reduced:	N2S2O5C12H18 (1)
Stoich.:	A2B2C5D12E18 (1)
Weight, g/mol:	270.107185
ΔH_f, kcal/mol:	-121.9
Dipole, Da:	7.31
IP(EA), eV:	-9.02(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-3-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethylsulfanyl]propane

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations