Geometry & MOs

Info

ID:	333562
PubChem CID:	127252114
Reduced:	FSO2N5H18C19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	400.111773
ΔH_f, kcal/mol:	-25.99
Dipole, Da:	6.4
IP(EA), eV:	-8.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=CC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations