Geometry & MOs

Info

ID:

310500

PubChem CID:

126580903

Reduced:

O6N8C53H66 (1)

Stoich.:

A6B8C53D66 (1)

Weight, g/mol:

726.294629

ΔHf, kcal/mol:

-205.69

Dipole, Da:

1.46

IP(EA), eV:

 -8.56(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[3-[3-[3-(3-formyloxy-2-hydroxypropoxy)-2-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]-2-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]-2-hydroxypropoxy]-2-hydroxypropyl] prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H](N(C1)C(=O)C(C(C)CC)NC(=O)OC)C2=NC=C(N2)C3=CC=C(C=C3)C4=C5C6CCC(C6)C5=C(C=C4)C7=CC8=C(C=C7)N=C(N8)[C@@H]9CC[C@@H](N9C(=O)C(C(C)C)NC(=O)OC)C

DOS

IR

Vibrations