Geometry & MOs

Info

ID:	318697
PubChem CID:	126652753
Reduced:	ClFNSO4C29H35 (1)
Stoich.:	ABCDE4F29G35 (1)
Weight, g/mol:	519.164636
ΔH_f, kcal/mol:	-179.78
Dipole, Da:	9.53
IP(EA), eV:	-9.17(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[(2-chloro-3-methylphenyl)methyl-(2-phenylethyl)amino]propoxy]-2-fluoro-6-methylsulfonylphenyl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN(CCCOC2=CC(=C(C(=C2)S(=O)(=O)C)CO)F)CC(C)(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations