Geometry & MOs

Info

ID:	340952
PubChem CID:	127263387
Reduced:	ClO2N3C17H36 (1)
Stoich.:	AB2C3D17E36 (1)
Weight, g/mol:	313.272927
ΔH_f, kcal/mol:	-190.75
Dipole, Da:	0.65
IP(EA), eV:	-9.71(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](CN)C(=O)NCC.Cl

DOS

IR

Vibrations