Geometry & MOs

Info

ID:	362111
PubChem CID:	127305793
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	4.95
IP(EA), eV:	-9.14(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-5-[3-oxo-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C(CS2)C(=O)N3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations