Geometry & MOs

Info

ID:	179335
PubChem CID:	76468730
Reduced:	SF4N4O5C20H22 (1)
Stoich.:	AB4C4D5E20F22 (1)
Weight, g/mol:	537.146916
ΔH_f, kcal/mol:	-307.31
Dipole, Da:	5.38
IP(EA), eV:	-9.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-difluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]azepan-2-one

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)N2CCC(CC2)N3CCC(C3=O)OC4=CC(=C(C=C4F)S(=O)(=O)C)F)(F)F

DOS

IR

Vibrations