Geometry & MOs

Info

ID:	28076
PubChem CID:	825392
Reduced:	SO3N4H12C16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	278.047361
ΔH_f, kcal/mol:	45.82
Dipole, Da:	13.41
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations