Geometry & MOs

Info

ID:	31705
PubChem CID:	858332
Reduced:	N2O2S2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	4.07
IP(EA), eV:	-9.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=NC2=C(C(=C(S2)C)C)C(=N1)SCC(=O)O

DOS

IR

Vibrations