Geometry & MOs

Info

ID:	329168
PubChem CID:	126731480
Reduced:	OSF4N5H17C25 (1)
Stoich.:	ABC4D5E17F25 (1)
Weight, g/mol:	521.114473
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	9.03
IP(EA), eV:	-8.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-N-[2,4-difluoro-3-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]benzenesulfinamide

Drug info:

PubChemData

Smile

C1CC1CNC2=C3C(=CNC3=NC=C2C#N)C(=O)C4=C(C=CC(=C4F)NSC5=C(C=CC(=C5)F)F)F

DOS

IR

Vibrations