Geometry & MOs

Info

ID:	333565
PubChem CID:	127252117
Reduced:	SO3N6C19H20 (1)
Stoich.:	AB3C6D19E20 (1)
Weight, g/mol:	360.169859
ΔH_f, kcal/mol:	3.0
Dipole, Da:	7.29
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-[(5-methylpyridin-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)C3=NC(=NC=C3)NC4=NC=CC=N4

DOS

IR

Vibrations