Geometry & MOs

Info

ID:	70416
PubChem CID:	48413321
Reduced:	NS2O6C15H21 (1)
Stoich.:	AB2C6D15E21 (1)
Weight, g/mol:	375.08103
ΔH_f, kcal/mol:	-216.3
Dipole, Da:	0.75
IP(EA), eV:	-9.89(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C

DOS

IR

Vibrations