Geometry & MOs

Info

ID:	403976
PubChem CID:	135063815
Reduced:	NS3O4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	210.079313
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	3.45
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-1-phenylpyrazole

Drug info:

PubChemData

Smile

COC(=O)/C=C/C[C@H](C1=CC=CS1)NS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations