Geometry & MOs

Info

ID:	226949
PubChem CID:	87559175
Reduced:	NaS2O10C20H38 (1)
Stoich.:	AB2C10D20E38 (1)
Weight, g/mol:	228.022308
ΔH_f, kcal/mol:	-457.12
Dipole, Da:	3.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dihydroxybutan-2-yl)cyclopropane-1-sulfonyl chloride

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCCC)(C(=O)O)C(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O.[Na]

DOS

IR

Vibrations