Geometry & MOs

Info

ID:	16886
PubChem CID:	478472
Reduced:	ClSN2O2C26H31 (1)
Stoich.:	ABC2D2E26F31 (1)
Weight, g/mol:	470.179477
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	3.72
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(3-chlorophenyl)-4-(3-phenylpropylamino)butyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C[C@@H](CCNCCCC1=CC=CC=C1)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations