Geometry & MOs

Info

ID:	149348
PubChem CID:	53789020
Reduced:	OF3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	344.993403
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.888913
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-2-(4-chlorophenyl)-1-hydroxy-1-phosphonopropyl]phosphonic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2CN3C(=CCC4=CC=CC=C43)[N+]2=O)C5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations