Geometry & MOs

Info

ID:	230536
PubChem CID:	87571280
Reduced:	N2O4C27H52 (1)
Stoich.:	A2B4C27D52 (1)
Weight, g/mol:	634.564859
ΔH_f, kcal/mol:	-296.03
Dipole, Da:	5.64
IP(EA), eV:	-10.11(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[octanoyl-[(2S,3R)-3-octyloxiran-2-yl]amino]propyl]-8-[(2S,3R)-3-octyloxiran-2-yl]octanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)OC(C)CC

DOS

IR

Vibrations