Geometry & MOs

Info

ID:	277803
PubChem CID:	103831038
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	243.194677
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	3.54
IP(EA), eV:	-9.04(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCCC1=CC=CS1)N

DOS

IR

Vibrations