Geometry & MOs

Info

ID:	343246
PubChem CID:	127266419
Reduced:	ClSN3O4C13H20 (1)
Stoich.:	ABC3D4E13F20 (1)
Weight, g/mol:	327.1195
ΔH_f, kcal/mol:	-99.76
Dipole, Da:	7.11
IP(EA), eV:	-9.45(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazol-1-yl]acetate

Drug info:

PubChemData

Smile

CCN1CCCC1CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

DOS

IR

Vibrations