Geometry & MOs

Info

ID:	166243
PubChem CID:	74656421
Reduced:	F2N2O3C21H28 (1)
Stoich.:	A2B2C3D21E28 (1)
Weight, g/mol:	463.250478
ΔH_f, kcal/mol:	-210.22
Dipole, Da:	1.69
IP(EA), eV:	-8.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C=CC2=CC=C(C=C2)OC(F)F)N3CCOCC3

DOS

IR

Vibrations