Geometry & MOs

Info

ID:	194535
PubChem CID:	78551231
Reduced:	F2N2O3C22H22 (1)
Stoich.:	A2B2C3D22E22 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-144.07
Dipole, Da:	7.26
IP(EA), eV:	-8.83(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-(benzylsulfamoyl)-2-methylbenzoate

Drug info:

PubChemData

Smile

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)C2=CC(=C(C=C2)F)F)C

DOS

IR

Vibrations