Geometry & MOs

Info

ID:

446408

PubChem CID:

135274745

Reduced:

F8N12O40C69H120 (1)

Stoich.:

A8B12C40D69E120 (1)

Weight, g/mol:

716.369132

ΔHf, kcal/mol:

-1515.32

Dipole, Da:

11.75

IP(EA), eV:

 -8.05(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,3-dihydroxypropan-2-yl)-3-[3-[3-(1,3-dihydroxypropan-2-ylamino)-3-oxopropoxy]-2,2-bis[[3-(1,3-dihydroxypropan-2-ylamino)-3-oxopropoxy]methyl]propoxy]propanamide

Drug info:

PubChemData

Smile

C(COCC(COCCC(=O)NC(COC(=O)NCCOCCOF)COC(=O)NCCOCCOF)(COCCC(=O)NC(COC(=O)NCCOCCOF)COC(=O)NCCOCCOF)COCCC(=O)NC(COC(=O)NCCOCCOF)COC(=O)NCCOCCOF)C(=O)NC(COC(=O)NCCOCCOF)COC(=O)NCCOCCOF

DOS

IR

Vibrations