Geometry & MOs

Info

ID:	160035
PubChem CID:	57304410
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	450.25588
ΔH_f, kcal/mol:	-137.36
Dipole, Da:	8.53
IP(EA), eV:	-9.7(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-phenyl-3-[2-[2-(2-phenylpropan-2-yl)phenyl]phenoxy]propan-1-ol

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=C1SC(=C2)C(=N)C3=CC=C(C=C3)C(=O)OCC)C(=O)O

DOS

IR

Vibrations