Geometry & MOs

Info

ID:	277810
PubChem CID:	103831053
Reduced:	SO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	2.28
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(4-methylphenyl)methyl]-N-propylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CS2)N

DOS

IR

Vibrations