Geometry & MOs

Info

ID:	26187
PubChem CID:	640635
Reduced:	SO3H12C18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	210.06808
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	1.67
IP(EA), eV:	-8.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenanthrene-2,4-diol

Drug info:

PubChemData

Smile

COC1=C(SC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4

DOS

IR

Vibrations