Geometry & MOs

Info

ID:	153692
PubChem CID:	56312986
Reduced:	N2F3O4C21H29 (1)
Stoich.:	A2B3C4D21E29 (1)
Weight, g/mol:	461.123226
ΔH_f, kcal/mol:	-329.25
Dipole, Da:	3.83
IP(EA), eV:	-8.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methylsulfamoyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCCC(=O)N2CCCCCC2)OCC(F)(F)F

DOS

IR

Vibrations