Geometry & MOs

Info

ID:

313448

PubChem CID:

126614793

Reduced:

O3N10C23H28 (1)

Stoich.:

A3B10C23D28 (1)

Weight, g/mol:

844.700349

ΔHf, kcal/mol:

-24.28

Dipole, Da:

2.32

IP(EA), eV:

 -8.54(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[3,4-bis[2-(3-hydroxy-3-methylbutoxy)propan-2-yl]oxolan-2-yl]-5-(2-hydroxy-2-methylpropoxy)-2,5-dimethylhexan-2-yl]oxy-2-methylbutan-2-yl] dodecanoate

Drug info:

PubChemData

Smile

CC1(CCCN1C2=NC=C(C=N2)C3=NC=CC(=N3)NC(=O)CN4C=NC5=C4C(=O)N(C(N5C)O)C)C

DOS

IR

Vibrations