Geometry & MOs

Info

ID:	272518
PubChem CID:	103744380
Reduced:	SO3N6H8C9 (1)
Stoich.:	AB3C6D8E9 (1)
Weight, g/mol:	314.044917
ΔH_f, kcal/mol:	80.95
Dipole, Da:	3.5
IP(EA), eV:	-9.28(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CSC2=NC(=C(N21)[N+](=O)[O-])NCCC3=NC=NO3

DOS

IR

Vibrations