Geometry & MOs

Info

ID:	69983
PubChem CID:	47206328
Reduced:	SO3N4C11H20 (1)
Stoich.:	AB3C4D11E20 (1)
Weight, g/mol:	303.125277
ΔH_f, kcal/mol:	-106.4
Dipole, Da:	7.3
IP(EA), eV:	-9.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(1-methylpyrazol-4-yl)sulfonylamino]heptanoate

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)C)S(=O)(=O)C1=CN(N=C1)C

DOS

IR

Vibrations