Geometry & MOs

Info

ID:	401891
PubChem CID:	135053229
Reduced:	O5C22H34 (1)
Stoich.:	A5B22C34 (1)
Weight, g/mol:	278.040151
ΔH_f, kcal/mol:	-236.51
Dipole, Da:	4.15
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylphenanthro[9,10-b]pyran-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)CC1=C(C=C(C=C1OC)OC)C(=O)O

DOS

IR

Vibrations