Geometry & MOs

Info

ID:	317818
PubChem CID:	126646093
Reduced:	ClNO2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	603.126948
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	2.67
IP(EA), eV:	-9.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)NO)CC3=C(C=CC=C3Cl)Cl)C

DOS

IR

Vibrations