Geometry & MOs

Info

ID:	54614
PubChem CID:	17388989
Reduced:	SO6N7H11C14 (1)
Stoich.:	AB6C7D11E14 (1)
Weight, g/mol:	388.022603
ΔH_f, kcal/mol:	48.8
Dipole, Da:	7.03
IP(EA), eV:	-9.91(-2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dinitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-].N

DOS

IR

Vibrations