Geometry & MOs

Info

ID:	308257
PubChem CID:	125324976
Reduced:	BrON3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	576.273656
ΔH_f, kcal/mol:	47.57
Dipole, Da:	3.78
IP(EA), eV:	-9.4(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-4-[(9R,10R,15S)-10-(3-methoxyphenyl)-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7-tetraen-13-yl]benzamide

Drug info:

PubChemData

Smile

C1N=NC(=O)N1C2=CC=C(C=C2)Br

DOS

IR

Vibrations