Geometry & MOs

Info

ID:

179704

PubChem CID:

76520143

Reduced:

ClPN4O9C20H26 (1)

Stoich.:

ABC4D9E20F26 (1)

Weight, g/mol:

534.128243

ΔHf, kcal/mol:

-286.84

Dipole, Da:

4.64

IP(EA), eV:

 -10.4(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C=CC(O2)CC(C)(C3=CC=C(O3)[N+](=O)[O-])N(CCCCCl)P(=O)([O-])[O-]

DOS

IR

Vibrations