Geometry & MOs

Info

ID:	28074
PubChem CID:	825389
Reduced:	SO3N4H10C15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	292.063011
ΔH_f, kcal/mol:	68.04
Dipole, Da:	5.13
IP(EA), eV:	-9.58(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations