Geometry & MOs

Info

ID:

214913

PubChem CID:

85083840

Reduced:

O8C37H66 (1)

Stoich.:

A8B37C66 (1)

Weight, g/mol:

642.185758

ΔHf, kcal/mol:

-465.11

Dipole, Da:

3.91

IP(EA), eV:

 -9.74(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O

DOS

IR

Vibrations