Geometry & MOs

Info

ID:	132732
PubChem CID:	51409112
Reduced:	OS3N6C16H20 (1)
Stoich.:	AB3C6D16E20 (1)
Weight, g/mol:	413.222703
ΔH_f, kcal/mol:	79.71
Dipole, Da:	4.47
IP(EA), eV:	-8.61(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-2-(4-fluorocyclohexyl)-6,11-dimethyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,8-tetraene-10,12-dione

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC2=C(CO1)SC3=C2C4NN=C(N4C5=NN=C(N35)SC)SC

DOS

IR

Vibrations