Geometry & MOs

Info

ID:	154146
PubChem CID:	56313545
Reduced:	FSO2N3C23H26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	409.186478
ΔH_f, kcal/mol:	-108.21
Dipole, Da:	6.98
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NCC(C)(C)C4=CC=CC=C4F

DOS

IR

Vibrations