Geometry & MOs

Info

ID:	277849
PubChem CID:	103831265
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	262.135114
ΔH_f, kcal/mol:	6.41
Dipole, Da:	5.56
IP(EA), eV:	-8.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC(=CC=C1)N2C=CC=N2)N

DOS

IR

Vibrations