Geometry & MOs

Info

ID:	297676
PubChem CID:	117625379
Reduced:	S2O3N4F6H18C21 (1)
Stoich.:	A2B3C4D6E18F21 (1)
Weight, g/mol:	265.00262
ΔH_f, kcal/mol:	-324.22
Dipole, Da:	6.68
IP(EA), eV:	-9.11(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazole

Drug info:

PubChemData

Smile

C1CNC[C@H](C1C2=CC(=C(C=C2)F)C(F)(F)F)COC3=CC(=C(C=C3F)S(=O)(=O)NC4=NC=NS4)F

DOS

IR

Vibrations