Geometry & MOs

Info

ID:	425930
PubChem CID:	135132413
Reduced:	ClF3O3N8H30C34 (1)
Stoich.:	AB3C3D8E30F34 (1)
Weight, g/mol:	381.037855
ΔH_f, kcal/mol:	-86.43
Dipole, Da:	4.84
IP(EA), eV:	-8.8(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetamido-1-oxo-1-phenylmethoxy-2-phosphonopropan-2-yl)phosphonic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C(/C(=C\N)/COC2=C(C3=C(C=C2)NN=C3)C4=C(C=C5C(=C4)N=CN=C5N6CCN(CC6)C(=O)C=C)Cl)C(F)(F)F

DOS

IR

Vibrations