Geometry & MOs

Info

ID:	137661
PubChem CID:	52242311
Reduced:	ClN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	266.988755
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	5.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.971905
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)[NH+](C)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations