Geometry & MOs

Info

ID:	153372
PubChem CID:	56312559
Reduced:	BrSN2F3O4H16C17 (1)
Stoich.:	ABC2D3E4F16G17 (1)
Weight, g/mol:	393.176307
ΔH_f, kcal/mol:	-244.96
Dipole, Da:	3.77
IP(EA), eV:	-8.99(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NNC(=O)C2=CC=C(S2)Br)OCC(F)(F)F

DOS

IR

Vibrations