Geometry & MOs

Info

ID:	133724
PubChem CID:	51583150
Reduced:	FSO3N4C18H19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	246.051481
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	3.23
IP(EA), eV:	-9.01(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-methyl-2-(4-nitrophenyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C(=O)[C@H](C1)SC2=NNC(=O)N2C3CC3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations