Geometry & MOs

Info

ID:	352301
PubChem CID:	127283385
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	391.221954
ΔH_f, kcal/mol:	-150.03
Dipole, Da:	5.63
IP(EA), eV:	-9.47(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-morpholin-4-yl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCCN1C(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations