Geometry & MOs

Info

ID:	331220
PubChem CID:	127248627
Reduced:	FSO3N5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-67.54
Dipole, Da:	1.79
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]pyrimidin-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(C2)C3=NC=NC=C3C4=CC(=NC=C4)N

DOS

IR

Vibrations