Geometry & MOs

Info

ID:	140467
PubChem CID:	52702922
Reduced:	SN2O4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	452.176979
ΔH_f, kcal/mol:	-102.22
Dipole, Da:	4.61
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-phenylphenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@@H](C)OC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations