Geometry & MOs

Info

ID:	135252
PubChem CID:	51841799
Reduced:	F3O3N4C20H23 (1)
Stoich.:	A3B3C4D20E23 (1)
Weight, g/mol:	474.251858
ΔH_f, kcal/mol:	-226.9
Dipole, Da:	6.51
IP(EA), eV:	-9.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-1-(2-methoxynaphthalen-1-yl)-2-oxoethyl]-2-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)OC)NC(=O)N1CCC2=C([C@@H]1C3=C(C(=C(C=C3)F)F)F)N=CN2

DOS

IR

Vibrations