Geometry & MOs

Info

ID:	146863
PubChem CID:	53763358
Reduced:	ClN2O3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	390.166494
ΔH_f, kcal/mol:	-145.58
Dipole, Da:	5.19
IP(EA), eV:	-8.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)CN(C1=CC=CC(=C1)NC(=O)OC(C)(C)C)C(C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations