Geometry & MOs

Info

ID:	340951
PubChem CID:	127263386
Reduced:	PN2O6C17H35 (1)
Stoich.:	AB2C6D17E35 (1)
Weight, g/mol:	349.249605
ΔH_f, kcal/mol:	-398.02
Dipole, Da:	3.81
IP(EA), eV:	-10.15(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-amino-1-(ethylamino)-1-oxopropan-2-yl]dodecanamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)C(=O)NCC

DOS

IR

Vibrations