Geometry & MOs

Info

ID:	223942
PubChem CID:	85336164
Reduced:	NOF3H5C8 (2)
Stoich.:	ABC3D5E8 (2)
Weight, g/mol:	378.11371
ΔH_f, kcal/mol:	-308.78
Dipole, Da:	10.01
IP(EA), eV:	-9.42(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethoxy-2-[2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1CC(F)(F)F)C=CC3=NC(=O)C=C(C32)C(F)(F)F)C=O

DOS

IR

Vibrations