Geometry & MOs

Info

ID:	227366
PubChem CID:	87561526
Reduced:	SH2F4O5C6 (1)
Stoich.:	AB2C4D5E6 (1)
Weight, g/mol:	297.071368
ΔH_f, kcal/mol:	-344.49
Dipole, Da:	3.32
IP(EA), eV:	-9.83(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-2,6-difluorophenyl)-(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1(=C(C(=C(C(=C1F)F)OS(=O)(=O)O)F)F)O

DOS

IR

Vibrations