Geometry & MOs

Info

ID:	137719
PubChem CID:	52249921
Reduced:	NCl2S2O4C12H15 (1)
Stoich.:	AB2C2D4E12F15 (1)
Weight, g/mol:	367.100205
ΔH_f, kcal/mol:	-166.16
Dipole, Da:	5.26
IP(EA), eV:	-9.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations