Geometry & MOs

Info

ID:

179702

PubChem CID:

76520141

Reduced:

ClPN3O8C26H29 (1)

Stoich.:

ABC3D8E26F29 (1)

Weight, g/mol:

579.15373

ΔHf, kcal/mol:

-299.17

Dipole, Da:

4.75

IP(EA), eV:

 -10.19(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-chlorobutyl-[1-(1,4-dioxonaphthalen-2-yl)-2-[5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2,5-dihydrofuran-2-yl]propan-2-yl]amino]phosphonic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C=CC(O2)C(C)(CC3=CC(=O)C4=CC=CC=C4C3=O)N(CCCCCl)P(=O)([O-])[O-]

DOS

IR

Vibrations