Geometry & MOs

Info

ID:	441315
PubChem CID:	135234103
Reduced:	SO2N4C9H12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	343.183067
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	8.35
IP(EA), eV:	-8.34(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexyl-N-[3-[6-(dimethylamino)pyridin-2-yl]prop-1-en-2-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

COC1=CN=C(C=C1)CC(=O)NC(=S)NN

DOS

IR

Vibrations