Geometry & MOs

Info

ID:	61046
PubChem CID:	26704722
Reduced:	FSN4O4H21C25 (1)
Stoich.:	ABC4D4E21F25 (1)
Weight, g/mol:	487.067191
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	11.02
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC(=O)/C=C/C2=CN(N=N2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations