Geometry & MOs

Info

ID:	150462
PubChem CID:	53790152
Reduced:	Cl2O2N3C16H19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	470.191566
ΔH_f, kcal/mol:	-48.35
Dipole, Da:	5.48
IP(EA), eV:	-9.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfinyl-4-(2-phenylpropan-2-yl)phenol

Drug info:

PubChemData

Smile

CCCC1COC(O1)(CCN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations