Geometry & MOs

Info

ID:	277771
PubChem CID:	103830901
Reduced:	ON2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	-100.95
Dipole, Da:	3.37
IP(EA), eV:	-9.52(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-methylsulfanylphenyl)hexanamide

Drug info:

PubChemData

Smile

CCCCCC(C)NC(=O)[C@H](CCCC)N

DOS

IR

Vibrations