Geometry & MOs

Info

ID:

179703

PubChem CID:

76520142

Reduced:

ClPN3O8C26H31 (1)

Stoich.:

ABC3D8E26F31 (1)

Weight, g/mol:

532.112593

ΔHf, kcal/mol:

-365.37

Dipole, Da:

8.13

IP(EA), eV:

 -9.96(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

1-[5-[2-[4-chlorobutyl(phosphonato)amino]-2-(5-nitrofuran-2-yl)propyl]-2,5-dihydrofuran-2-yl]-5-methyl-1,3-diazinane-2,4-dione

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