Geometry & MOs

Info

ID:	231194
PubChem CID:	87572923
Reduced:	SO3F4N4C21H24 (1)
Stoich.:	AB3C4D4E21F24 (1)
Weight, g/mol:	257.024356
ΔH_f, kcal/mol:	-286.07
Dipole, Da:	7.82
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-nitrophenanthrene

Drug info:

PubChemData

Smile

CC(C)NC1=C(C=CC(=N1)C(F)(F)F)/C=C/C(=O)NC(C)C2=CC(=C(C=C2)NS(=O)(=O)C)F

DOS

IR

Vibrations