Geometry & MOs

Info

ID:	70415
PubChem CID:	48413320
Reduced:	FNS2O6C15H20 (1)
Stoich.:	ABC2D6E15F20 (1)
Weight, g/mol:	375.08103
ΔH_f, kcal/mol:	-268.16
Dipole, Da:	3.5
IP(EA), eV:	-9.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC(=C(C=C2)F)S(=O)(=O)C

DOS

IR

Vibrations