Geometry & MOs

Info

ID:	153871
PubChem CID:	56313203
Reduced:	FSN3O4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	446.112327
ΔH_f, kcal/mol:	-101.61
Dipole, Da:	6.55
IP(EA), eV:	-8.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations