Geometry & MOs

Info

ID:	433889
PubChem CID:	135174033
Reduced:	PO4N6C25H31 (1)
Stoich.:	AB4C6D25E31 (1)
Weight, g/mol:	501.112836
ΔH_f, kcal/mol:	-117.29
Dipole, Da:	5.38
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2-methylphenyl)methoxy]-N-[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]propan-2-amine

Drug info:

PubChemData

Smile

C[C@@H](CNP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations