Geometry & MOs

Info

ID:	406282
PubChem CID:	135077120
Reduced:	ClFNOH13C14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	504.103841
ΔH_f, kcal/mol:	-54.86
Dipole, Da:	4.63
IP(EA), eV:	-8.39(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-6-phenanthren-9-yl-2-trimethylsilylphenyl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)NC2=CC(=CC=C2)F)Cl

DOS

IR

Vibrations