Geometry & MOs

Info

ID:

447167

PubChem CID:

135280892

Reduced:

N4O16C29H56 (1)

Stoich.:

A4B16C29D56 (1)

Weight, g/mol:

660.379302

ΔHf, kcal/mol:

-762.65

Dipole, Da:

5.58

IP(EA), eV:

 -9.84(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(COCC(COCCC(=O)NCC(CO)O)(COCCC(=O)NC(CO)CO)COCCC(=O)NC(CO)CO)C(=O)NCC(CO)O

DOS

IR

Vibrations