Geometry & MOs

Info

ID:	70458
PubChem CID:	48413379
Reduced:	S2N3O4C15H19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	370.119858
ΔH_f, kcal/mol:	-81.46
Dipole, Da:	3.56
IP(EA), eV:	-9.64(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-(4-methyl-3-nitrophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

DOS

IR

Vibrations