Geometry & MOs

Info

ID:	56737
PubChem CID:	22389234
Reduced:	SO2F3N4C17H17 (1)
Stoich.:	AB2C3D4E17F17 (1)
Weight, g/mol:	324.12224
ΔH_f, kcal/mol:	-185.09
Dipole, Da:	3.69
IP(EA), eV:	-9.07(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-3-oxoprop-1-ynyl)-N-(1-azabicyclo[2.2.1]heptan-3-yl)furo[2,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CN2CC1CC(C2)NC(=O)C3=NC=C4C(=C3)C(=CS4)NC(=O)C(F)(F)F

DOS

IR

Vibrations