Geometry & MOs

Info

ID:	178669
PubChem CID:	76365419
Reduced:	BrFOSN3C16H23 (1)
Stoich.:	ABCDE3F16G23 (1)
Weight, g/mol:	406.11167
ΔH_f, kcal/mol:	-67.48
Dipole, Da:	2.72
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1C(C(NN1)C(=O)NCCSCC2=CC=CC=C2F)Br

DOS

IR

Vibrations