Geometry & MOs

Info

ID:	177780
PubChem CID:	76230196
Reduced:	SF2O2N5H11C16 (1)
Stoich.:	AB2C2D5E11F16 (1)
Weight, g/mol:	439.152351
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	6.44
IP(EA), eV:	-9.16(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(N=NC2=O)C(=O)NNC(=S)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations