Geometry & MOs

Info

ID:	317829
PubChem CID:	126646253
Reduced:	ClF3N3O3C31H35 (1)
Stoich.:	AB3C3D3E31F35 (1)
Weight, g/mol:	571.145185
ΔH_f, kcal/mol:	-202.37
Dipole, Da:	5.92
IP(EA), eV:	-9.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-4-[3-[(4-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-6-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

C1CN(CC1OCCCN(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)NO

DOS

IR

Vibrations