Geometry & MOs

Info

ID:	127140
PubChem CID:	50992218
Reduced:	F2O2N4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	361.141926
ΔH_f, kcal/mol:	-97.53
Dipole, Da:	7.01
IP(EA), eV:	-8.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-1-phosphonooxydodecyl)phosphonic acid

Drug info:

PubChemData

Smile

C[C@]1(COCC(=N1)N)C2=C(C=CC(=C2)NC(=O)C3=C(C=CC=N3)F)F

DOS

IR

Vibrations