Geometry & MOs

Info

ID:	362133
PubChem CID:	127305815
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-42.74
Dipole, Da:	6.1
IP(EA), eV:	-9.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CCC3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations