Geometry & MOs

Info

ID:	333563
PubChem CID:	127252115
Reduced:	FSO2N6H17C18 (1)
Stoich.:	ABC2D6E17F18 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	5.03
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations