Geometry & MOs

Info

ID:	317855
PubChem CID:	126646509
Reduced:	SF3O5N6H25C29 (1)
Stoich.:	AB3C5D6E25F29 (1)
Weight, g/mol:	567.170257
ΔH_f, kcal/mol:	-216.96
Dipole, Da:	2.6
IP(EA), eV:	-8.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl-(2-phenylethyl)amino]propoxy]-2-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)COC)N\2C(=O)CS/C2=N\C(=O)NC3=CC=C(C=C3)OCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations