Geometry & MOs

Info

ID:	173923
PubChem CID:	75700721
Reduced:	F3N3O4C28H32 (1)
Stoich.:	A3B3C4D28E32 (1)
Weight, g/mol:	517.257671
ΔH_f, kcal/mol:	-240.81
Dipole, Da:	6.74
IP(EA), eV:	-9.83(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(2-methoxynaphthalen-1-yl)-2-oxoethyl]-N-cyclohexyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)C(F)(F)F)N(C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations