Geometry & MOs

Info

ID:	154312
PubChem CID:	56313725
Reduced:	FO2N4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	460.127978
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	3.96
IP(EA), eV:	-8.21(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations