Geometry & MOs

Info

ID:	70410
PubChem CID:	48413310
Reduced:	ClSN2O4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	376.049585
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	3.88
IP(EA), eV:	-10.11(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-chloro-4-nitrophenyl)sulfonyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C#N

DOS

IR

Vibrations