Geometry & MOs

Info

ID:	277755
PubChem CID:	103830831
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	2.44
IP(EA), eV:	-8.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3-methylsulfanylphenyl)hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations