Geometry & MOs

Info

ID:	297361
PubChem CID:	117616043
Reduced:	BrNF4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	437.152161
ΔH_f, kcal/mol:	-196.24
Dipole, Da:	3.49
IP(EA), eV:	-9.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-cyclopropyl-3-[3-[4-(1-methylcyclopropyl)sulfonylanilino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)NC(C1=C(C=C(C=C1)Br)F)C(F)(F)F

DOS

IR

Vibrations