Geometry & MOs

Info

ID:	70430
PubChem CID:	48413337
Reduced:	SN2O6C15H20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	357.124609
ΔH_f, kcal/mol:	-147.56
Dipole, Da:	4.97
IP(EA), eV:	-9.99(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-(2,5-dimethoxyphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations