Geometry & MOs

Info

ID:	282638
PubChem CID:	103933734
Reduced:	ClN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	248.073182
ΔH_f, kcal/mol:	-70.54
Dipole, Da:	3.37
IP(EA), eV:	-9.41(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1,3,4-thiadiazol-2-ylamino)methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)C2=C(C=CN=C2)Cl

DOS

IR

Vibrations