Geometry & MOs

Info

ID:

43538

PubChem CID:

10321438

Reduced:

N2O4C27H32 (1)

Stoich.:

A2B4C27D32 (1)

Weight, g/mol:

448.26857

ΔHf, kcal/mol:

-141.44

Dipole, Da:

3.24

IP(EA), eV:

 -8.78(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-4-oxo-3-(piperidin-4-ylmethyl)-1-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)N(C1=O)C2=CC=CC=C2C(=O)OC[C@H]3CCCN(C3)CCCC4=CC=CC=C4

DOS

IR

Vibrations