Geometry & MOs

Info

ID:	333561
PubChem CID:	127252113
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	399.116524
ΔH_f, kcal/mol:	40.43
Dipole, Da:	4.24
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CC=N3)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations