Geometry & MOs

Info

ID:	184076
PubChem CID:	77105582
Reduced:	SO2F3N3H18C24 (1)
Stoich.:	AB2C3D3E18F24 (1)
Weight, g/mol:	449.173086
ΔH_f, kcal/mol:	-116.81
Dipole, Da:	2.11
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CN(CC(C1(F)F)OC2=NC3=CC=CC=C3C=C2)C(=O)C4=C(C=CC(=C4)F)C5=CSC=N5

DOS

IR

Vibrations