Geometry & MOs

Info

ID:	277780
PubChem CID:	103830946
Reduced:	OSN4C9H16 (1)
Stoich.:	ABC4D9E16 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-11.34
Dipole, Da:	5.67
IP(EA), eV:	-9.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-butyl-N-phenylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=NN=C(S1)C)N

DOS

IR

Vibrations