Geometry & MOs

Info

ID:	149074
PubChem CID:	53788745
Reduced:	SF3N4O4H9C12 (1)
Stoich.:	AB3C4D4E9F12 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-159.58
Dipole, Da:	1.82
IP(EA), eV:	-9.64(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2-thione

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=N)S1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations