Geometry & MOs

Info

ID:	169590
PubChem CID:	75122389
Reduced:	FNO3H9C10 (2)
Stoich.:	ABC3D9E10 (2)
Weight, g/mol:	484.111579
ΔH_f, kcal/mol:	-262.25
Dipole, Da:	4.13
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NNC(=O)C2=CC=CC=C2)OC(F)F

DOS

IR

Vibrations