Geometry & MOs

Info

ID:	28060
PubChem CID:	825362
Reduced:	ClSO3N4H11C12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	213.093583
ΔH_f, kcal/mol:	16.23
Dipole, Da:	7.96
IP(EA), eV:	-10.05(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations