Geometry & MOs

Info

ID:	70444
PubChem CID:	48413358
Reduced:	SN2O6C15H20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	322.098728
ΔH_f, kcal/mol:	-151.54
Dipole, Da:	6.54
IP(EA), eV:	-9.85(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-cyanophenyl)sulfonyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations