Geometry & MOs

Info

ID:	312759
PubChem CID:	126608367
Reduced:	SCl2C16H36 (1)
Stoich.:	AB2C16D36 (1)
Weight, g/mol:	370.156895
ΔH_f, kcal/mol:	-143.46
Dipole, Da:	1.58
IP(EA), eV:	-8.52(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCSCCCCCCCC.Cl.Cl

DOS

IR

Vibrations