Geometry & MOs

Info

ID:	222763
PubChem CID:	85332428
Reduced:	ClN2O4F6C22H25 (1)
Stoich.:	AB2C4D6E22F25 (1)
Weight, g/mol:	522.498511
ΔH_f, kcal/mol:	-467.93
Dipole, Da:	6.65
IP(EA), eV:	-9.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-[bis(cyclohexylmethyl)amino]hexanamide

Drug info:

PubChemData

Smile

CC(C)(CC(C(=O)NC1CCC2C(C1)CNOC2=O)(C(F)(F)F)O)C3=C(C=CC(=C3)Cl)C(F)(F)F

DOS

IR

Vibrations