Geometry & MOs

Info

ID:	329154
PubChem CID:	126731455
Reduced:	SO2F4N4H20C25 (1)
Stoich.:	AB2C4D4E20F25 (1)
Weight, g/mol:	429.143488
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	5.21
IP(EA), eV:	-8.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(cyclobutylsulfanylamino)-2,6-difluorophenyl]-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

Drug info:

PubChemData

Smile

COC1=CN=C2C(=C1NCC3CC3)C(=CN2)C(=O)C4=C(C=CC(=C4F)NSC5=C(C=CC(=C5)F)F)F

DOS

IR

Vibrations