Geometry & MOs

Info

ID:	27712
PubChem CID:	823208
Reduced:	OSN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	244.067034
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	6.42
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-3-prop-2-ynyl-6H-1,3,4-thiadiazin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=S)NC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations