Geometry & MOs

Info

ID:	70450
PubChem CID:	48413368
Reduced:	NS2O6C16H23 (1)
Stoich.:	AB2C6D16E23 (1)
Weight, g/mol:	389.09668
ΔH_f, kcal/mol:	-221.81
Dipole, Da:	8.13
IP(EA), eV:	-9.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C

DOS

IR

Vibrations