Geometry & MOs

Info

ID:	49897
PubChem CID:	11534179
Reduced:	FOCl2N7C27H32 (1)
Stoich.:	ABC2D7E27F32 (1)
Weight, g/mol:	560.18878
ΔH_f, kcal/mol:	-17.31
Dipole, Da:	5.08
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[difluoro-[4-[(2S)-3-oxo-3-(4-phenylbutylamino)-2-(phenylmethoxycarbonylamino)propyl]phenyl]methyl]phosphonic acid

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=NC(=CC(=N2)N3CCN(CC3)C4=C(C=C(C=N4)CO)Cl)C5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations