Geometry & MOs

Info

ID:	447626
PubChem CID:	135284311
Reduced:	ClN3S3O7C20H22 (1)
Stoich.:	AB3C3D7E20F22 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-210.72
Dipole, Da:	7.69
IP(EA), eV:	-8.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,6-trimethyl-1-[1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-2H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)S(=O)(=O)N(CC2=C(C=C(C=C2)OC)OC)C3=NC=NS3)Cl)OS(=O)(=O)C

DOS

IR

Vibrations