Geometry & MOs

Info

ID:	289745
PubChem CID:	104372464
Reduced:	ClFO2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	316.101227
ΔH_f, kcal/mol:	-100.54
Dipole, Da:	3.39
IP(EA), eV:	-8.11(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-cyclopentyl-3-(2-methyl-3-methylsulfanylpropyl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N2C(=O)C(=C(NC2=O)Cl)F

DOS

IR

Vibrations