Geometry & MOs

Info

ID:	28073
PubChem CID:	825387
Reduced:	OSN4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	326.047361
ΔH_f, kcal/mol:	54.67
Dipole, Da:	3.19
IP(EA), eV:	-9.03(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations