Geometry & MOs

Info

ID:

311654

PubChem CID:

126596838

Reduced:

ClO2N5H22C28 (1)

Stoich.:

AB2C5D22E28 (1)

Weight, g/mol:

486.11518

ΔHf, kcal/mol:

32.18

Dipole, Da:

7.15

IP(EA), eV:

 -8.38(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]oxyphenyl]peroxy-N-[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]phosphonamidic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N3C=NN=C3C1CC(=O)NC4=CC5=C(C=C4)NC(=O)C5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations