Geometry & MOs

Info

ID:	209007
PubChem CID:	80611268
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	317.96481
ΔH_f, kcal/mol:	14.67
Dipole, Da:	5.82
IP(EA), eV:	-8.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC1=NN=C(S1)CN2CCC3=CC=CC=C3C2=O

DOS

IR

Vibrations