Geometry & MOs

Info

ID:	278399
PubChem CID:	103835336
Reduced:	ClSN2O5C12H17 (1)
Stoich.:	ABC2D5E12F17 (1)
Weight, g/mol:	253.098394
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	4.95
IP(EA), eV:	-10.27(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-hydroxy-2-methylpentyl)sulfamoyl]acetate

Drug info:

PubChemData

Smile

CCCC(C)(CNS(=O)(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-])O

DOS

IR

Vibrations