Geometry & MOs

Info

ID:	70414
PubChem CID:	48413317
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	393.071608
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	3.84
IP(EA), eV:	-9.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(4-fluoro-3-methylsulfonylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CNN=C2

DOS

IR

Vibrations