Geometry & MOs

Info

ID:	438002
PubChem CID:	135227455
Reduced:	NOS2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	287.97859
ΔH_f, kcal/mol:	28.96
Dipole, Da:	2.88
IP(EA), eV:	-8.42(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-10-hydroxy-10H-phenanthren-9-one

Drug info:

PubChemData

Smile

CN\1C2=C(C=C(C=C2)CS)S/C1=C/C(=O)C3=CC=CC=C3

DOS

IR

Vibrations