Geometry & MOs

Info

ID:	333564
PubChem CID:	127252116
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	412.13176
ΔH_f, kcal/mol:	-20.48
Dipole, Da:	6.9
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations