Geometry & MOs

Info

ID:	397561
PubChem CID:	135030391
Reduced:	S2N6O7C26H32 (1)
Stoich.:	A2B6C7D26E32 (1)
Weight, g/mol:	491.17716
ΔH_f, kcal/mol:	-223.73
Dipole, Da:	5.14
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,1-difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(C(CC[C@@H]3C(C([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)C(=O)O)SCC(C(CS)O)O

DOS

IR

Vibrations