Geometry & MOs

Info

ID:	293377
PubChem CID:	117386464
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-80.0
Dipole, Da:	2.36
IP(EA), eV:	-8.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopropylsulfonylphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CNCC(=O)C1=C(C2=C(C=C1)OCCO2)SC

DOS

IR

Vibrations