Geometry & MOs

Info

ID:	232720
PubChem CID:	87576807
Reduced:	O2F3N3C16H28 (1)
Stoich.:	A2B3C3D16E28 (1)
Weight, g/mol:	313.978037
ΔH_f, kcal/mol:	-270.2
Dipole, Da:	4.5
IP(EA), eV:	-8.89(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-chlorophenanthrene-1-sulfonate

Drug info:

PubChemData

Smile

CCCCN([C@@H]1CCCN(C1)C(=O)CCCNC)C(=O)C(F)(F)F

DOS

IR

Vibrations