Geometry & MOs

Info

ID:	61066
PubChem CID:	26705087
Reduced:	ClSN2O6H19C23 (1)
Stoich.:	ABC2D6E19F23 (1)
Weight, g/mol:	367.139528
ΔH_f, kcal/mol:	-179.54
Dipole, Da:	3.51
IP(EA), eV:	-8.86(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)NCCN3C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/SC3=O

DOS

IR

Vibrations