Geometry & MOs

Info

ID:	201250
PubChem CID:	79512641
Reduced:	FN4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	200.073182
ΔH_f, kcal/mol:	50.76
Dipole, Da:	4.8
IP(EA), eV:	-9.8(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)C2=C(C(=CC=C2)F)C#N

DOS

IR

Vibrations