Geometry & MOs

Info

ID:

124840

PubChem CID:

50898375

Reduced:

BO5N6C30H35 (1)

Stoich.:

AB5C6D30E35 (1)

Weight, g/mol:

2198.468229

ΔHf, kcal/mol:

-195.59

Dipole, Da:

7.32

IP(EA), eV:

 -8.38(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(3,4,5-tridodecoxybenzoyl)oxymethyl]-3-[3,4,5-tris(2,3-dihydroxypropoxy)benzoyl]oxy-2-[[3,4,5-tris(2,3-dihydroxypropoxy)benzoyl]oxymethyl]propyl] 3,4,5-tridodecoxybenzoate

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=NC=CN=C4)(O)O

DOS

IR

Vibrations