Geometry & MOs

Info

ID:	90063
PubChem CID:	49966104
Reduced:	OF2N4H10C14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	427.096618
ΔH_f, kcal/mol:	-23.0
Dipole, Da:	4.44
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-benzyl-4-(difluoromethyl)-N-(2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations