Geometry & MOs

Info

ID:	323695
PubChem CID:	126675757
Reduced:	FN8C21H25 (1)
Stoich.:	AB8C21D25 (1)
Weight, g/mol:	504.183127
ΔH_f, kcal/mol:	79.62
Dipole, Da:	1.78
IP(EA), eV:	-8.32(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-6-(3-methylsulfonylphenyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CNC1CN2C=C(C=N2)CC3=CC(=NC4=C3NNN4)N)CC5=CC=C(C=C5)F

DOS

IR

Vibrations