Geometry & MOs

Info

ID:	54613
PubChem CID:	17388988
Reduced:	NCl2O4H13C23 (1)
Stoich.:	AB2C4D13E23 (1)
Weight, g/mol:	405.049152
ΔH_f, kcal/mol:	-24.01
Dipole, Da:	8.4
IP(EA), eV:	-9.67(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C\2=NOC(=O)/C2=C/C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations