Geometry & MOs

Info

ID:

219313

PubChem CID:

85098706

Reduced:

Cl2N4O9C38H46 (1)

Stoich.:

A2B4C9D38E46 (1)

Weight, g/mol:

780.197681

ΔHf, kcal/mol:

-376.8

Dipole, Da:

5.43

IP(EA), eV:

 -8.66(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-azido-5-[[[3-azido-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy-[(3,4-dinitrophenyl)-hydroxymethyl]phosphoryl]oxymethyl]oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=C(C=CC=C2Cl)Cl)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)NCC(=O)OC

DOS

IR

Vibrations