Geometry & MOs

Info

ID:	360516
PubChem CID:	127301161
Reduced:	SO3N5C11H15 (1)
Stoich.:	AB3C5D11E15 (1)
Weight, g/mol:	381.183461
ΔH_f, kcal/mol:	-88.89
Dipole, Da:	3.65
IP(EA), eV:	-10.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCCC1=NN=C(S1)NC(=O)CN2CCC(=O)NC2=O

DOS

IR

Vibrations