Geometry & MOs

Info

ID:	153379
PubChem CID:	56312567
Reduced:	FSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	410.181727
ΔH_f, kcal/mol:	-11.53
Dipole, Da:	5.7
IP(EA), eV:	-9.0(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)/C=C/C1=CC(=C(C=C1)OC2=CN=CC=C2)F)C3=CSC=C3

DOS

IR

Vibrations