Geometry & MOs

Info

ID:	28075
PubChem CID:	825391
Reduced:	SO3N4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	340.063011
ΔH_f, kcal/mol:	17.34
Dipole, Da:	5.6
IP(EA), eV:	-9.71(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations