Geometry & MOs

Info

ID:	277793
PubChem CID:	103831006
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	270.15437
ΔH_f, kcal/mol:	-118.76
Dipole, Da:	8.23
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations