Geometry & MOs

Info

ID:	297585
PubChem CID:	117622373
Reduced:	SO4H16C19 (2)
Stoich.:	AB4C16D19 (2)
Weight, g/mol:	277.09636
ΔH_f, kcal/mol:	-195.27
Dipole, Da:	4.71
IP(EA), eV:	-8.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-pyrimidin-4-ylpyrazol-4-yl)-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCOC1=CC2=C(C=C1)C=C(C=C2)C3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC7=C(C=C6)C=C(C=C7)OCCOS(=O)O

DOS

IR

Vibrations