Geometry & MOs

Info

ID:

325485

PubChem CID:

126683523

Reduced:

N2O4C41H66 (1)

Stoich.:

A2B4C41D66 (1)

Weight, g/mol:

470.335587

ΔHf, kcal/mol:

-172.95

Dipole, Da:

4.22

IP(EA), eV:

 -9.5(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,3-dimethylbutyl(formyl)amino]methyl 5-[2-(2,2-dimethylpropanoyloxy)ethyl-formylamino]-2,2,3,3-tetramethylpentanoate

Drug info:

PubChemData

Smile

CCCC(C)(C)CC[C@](C)(CCC(=O)N1CCC(CC1)O)CCC(C)(C)[C@@]\2(CC[C@@H]3[C@@](/C2=C/C(=O)C)(C=C(C(=O)C3(C)C)C#N)C)C

DOS

IR

Vibrations