Geometry & MOs

Info

ID:	25142
PubChem CID:	619508
Reduced:	SN2O3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	250.070205
ΔH_f, kcal/mol:	-34.28
Dipole, Da:	5.2
IP(EA), eV:	-9.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-methoxycarbonyl-1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=COC(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations