Geometry & MOs

Info

ID:	70449
PubChem CID:	48413367
Reduced:	SN3O4C12H19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	389.09668
ΔH_f, kcal/mol:	-121.19
Dipole, Da:	5.74
IP(EA), eV:	-9.6(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CNN=C2

DOS

IR

Vibrations