Geometry & MOs

Info

ID:	277772
PubChem CID:	103830904
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	2.97
IP(EA), eV:	-8.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-octan-2-ylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=CC=C1SC)N

DOS

IR

Vibrations