Geometry & MOs

Info

ID:	446927
PubChem CID:	135278848
Reduced:	SN7C34H63 (1)
Stoich.:	AB7C34D63 (1)
Weight, g/mol:	416.164402
ΔH_f, kcal/mol:	-18.13
Dipole, Da:	2.29
IP(EA), eV:	-8.12(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-cyclohexyloxy-3-(7-methoxy-6-methyl-1H-pyrrolo[2,3-b]pyridin-7-ium-4-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=NN=C(C=C2)C(C)CCC(N3CCC(CC3)C(C)CCC(C)N4CCN(CC4)C(C)C)S

DOS

IR

Vibrations