Geometry & MOs

Info

ID:	248179
PubChem CID:	103079470
Reduced:	SO4N7C8H9 (1)
Stoich.:	AB4C7D8E9 (1)
Weight, g/mol:	293.047027
ΔH_f, kcal/mol:	41.26
Dipole, Da:	11.38
IP(EA), eV:	-9.41(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(1-methyl-4-nitropyrazol-3-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SC2=NN=NN2CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations