Geometry & MOs

Info

ID:	195279
PubChem CID:	78668209
Reduced:	NF2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	412.130422
ΔH_f, kcal/mol:	-198.56
Dipole, Da:	4.89
IP(EA), eV:	-9.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC=C1F)F)OC(=O)CC2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations