Geometry & MOs

Info

ID:	336291
PubChem CID:	127255298
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	553.161326
ΔH_f, kcal/mol:	2.72
Dipole, Da:	3.36
IP(EA), eV:	-8.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S,12R,16S)-14-naphthalen-2-yl-13,15-dioxo-N-[3-(trifluoromethyl)phenyl]-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)NC(=O)CCCCCN3C=CC=C3

DOS

IR

Vibrations