Geometry & MOs

Info

ID:	390187
PubChem CID:	134997667
Reduced:	O2C17H34 (1)
Stoich.:	A2B17C34 (1)
Weight, g/mol:	406.142508
ΔH_f, kcal/mol:	-134.88
Dipole, Da:	0.85
IP(EA), eV:	-10.02(1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-phenyl-3-(2-phenyl-1,3-dithian-2-yl)propan-2-yl]phenol

Drug info:

PubChemData

Smile

CCCCCCCCCC[C@@H]1[C@H](O1)C(CC)(CC)O

DOS

IR

Vibrations