Geometry & MOs

Info

ID:	437825
PubChem CID:	135227111
Reduced:	BrNSF2O2H12C15 (1)
Stoich.:	ABCD2E2F12G15 (1)
Weight, g/mol:	472.169975
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	5.25
IP(EA), eV:	-9.37(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(1-chlorocyclopropyl)sulfonimidoyl]-2-[(4-methylcyclohexyl)amino]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1CC1S(=N)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)F)F)Br

DOS

IR

Vibrations