Geometry & MOs

Info

ID:	388613
PubChem CID:	134989659
Reduced:	NH4O4C5 (2)
Stoich.:	AB4C4D5 (2)
Weight, g/mol:	256.041882
ΔH_f, kcal/mol:	-145.44
Dipole, Da:	6.63
IP(EA), eV:	-10.9(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-2-yl-(5-sulfanylidene-2H-tetrazol-1-yl)methanone

Drug info:

PubChemData

Smile

COC(=O)CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O

DOS

IR

Vibrations