Geometry & MOs

Info

ID:	277827
PubChem CID:	103831126
Reduced:	FOSN2C15H21 (1)
Stoich.:	ABCD2E15F21 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	3.9
IP(EA), eV:	-8.58(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1CCSC2=C1C=C(C=C2)F)N

DOS

IR

Vibrations