Geometry & MOs

Info

ID:	189753
PubChem CID:	77899774
Reduced:	FSN2O4C18H25 (1)
Stoich.:	ABC2D4E18F25 (1)
Weight, g/mol:	370.121195
ΔH_f, kcal/mol:	-218.94
Dipole, Da:	5.92
IP(EA), eV:	-9.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CC(CN1S(=O)(=O)C2=C3CCCCC3=C(C=C2)OC)F

DOS

IR

Vibrations