Geometry & MOs

Info

ID:	22500
PubChem CID:	597381
Reduced:	OSN3H5C6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	167.015333
ΔH_f, kcal/mol:	31.65
Dipole, Da:	7.44
IP(EA), eV:	-9.57(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=NN2C=CC(=O)N=C2S1

DOS

IR

Vibrations