Geometry & MOs

Info

ID:	302924
PubChem CID:	124403685
Reduced:	ON2C24H32 (1)
Stoich.:	AB2C24D32 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-34.33
Dipole, Da:	5.58
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)CC2=CC=C(C=C2)C(=O)N[C@H](C)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations