Geometry & MOs

Info

ID:	430816
PubChem CID:	135170883
Reduced:	S2F3O4N5H20C21 (1)
Stoich.:	A2B3C4D5E20F21 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	-234.12
Dipole, Da:	4.84
IP(EA), eV:	-8.64(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=CSC=C5N(C4=O)C)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations