Geometry & MOs

Info

ID:	277832
PubChem CID:	103831140
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	288.144948
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	6.01
IP(EA), eV:	-9.51(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N)OC)N

DOS

IR

Vibrations