Geometry & MOs

Info

ID:	170109
PubChem CID:	75197575
Reduced:	FSO3N4C23H25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	397.107399
ΔH_f, kcal/mol:	-43.4
Dipole, Da:	6.0
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)F

DOS

IR

Vibrations