Geometry & MOs

Info

ID:	329145
PubChem CID:	126731421
Reduced:	OSF4N5H17C23 (1)
Stoich.:	ABC4D5E17F23 (1)
Weight, g/mol:	466.138737
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	3.97
IP(EA), eV:	-8.69(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2,6-difluoro-3-[(4-methylpyridin-2-yl)sulfanylamino]phenyl]methanone

Drug info:

PubChemData

Smile

C1CC1CNC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=CC(=C4F)NSC5=C(C=CC(=C5)F)F)F

DOS

IR

Vibrations