Geometry & MOs

Info

ID:	168194
PubChem CID:	74936053
Reduced:	OF5N5H18C21 (1)
Stoich.:	AB5C5D18E21 (1)
Weight, g/mol:	653.570673
ΔH_f, kcal/mol:	-178.95
Dipole, Da:	6.51
IP(EA), eV:	-9.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-N,N-bis(2-hydroxy-3-oxohexadecan-2-yl)hexanamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2N3C(=C(N=N3)C(F)F)CN1C(=O)CC(CC4=CC(=C(C=C4F)F)F)N

DOS

IR

Vibrations