Geometry & MOs

Info

ID:	431155
PubChem CID:	135171225
Reduced:	ClSF3N3O3H15C18 (1)
Stoich.:	ABC3D3E3F15G18 (1)
Weight, g/mol:	392.20124
ΔH_f, kcal/mol:	-198.86
Dipole, Da:	5.14
IP(EA), eV:	-9.39(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(C=C1)Cl)N2C(=C(C=N2)C3=CC=C(C=C3)OC(F)(F)F)C

DOS

IR

Vibrations