Geometry & MOs

Info

ID:	70437
PubChem CID:	48413347
Reduced:	SN2O7C15H20 (1)
Stoich.:	AB2C7D15E20 (1)
Weight, g/mol:	342.088557
ΔH_f, kcal/mol:	-179.41
Dipole, Da:	3.47
IP(EA), eV:	-9.87(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(4-nitrophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations