Geometry & MOs

Info

ID:	317849
PubChem CID:	126646437
Reduced:	ClSN2O3F4C23H27 (1)
Stoich.:	ABC2D3E4F23G27 (1)
Weight, g/mol:	541.13462
ΔH_f, kcal/mol:	-289.6
Dipole, Da:	5.4
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)OCCCN(CCC2=CC=C(C=C2)F)CC3=C(C(=CC=C3)C(F)(F)F)Cl

DOS

IR

Vibrations