Geometry & MOs

Info

ID:

159609

PubChem CID:

57288526

Reduced:

N2S2O7C22H24 (1)

Stoich.:

A2B2C7D22E24 (1)

Weight, g/mol:

529.376724

ΔHf, kcal/mol:

-237.75

Dipole, Da:

10.23

IP(EA), eV:

 -9.24(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-[2-(3-ethyl-2,2-dimethylcyclobutyl)acetyl]oxyphenyl] 2-(3-ethyl-2,2-dimethylcyclobutyl)acetate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)[C@H](CC(=O)O)NC(=O)N[C@@H](CSCC(=O)O)CSC3=CC=CC=C3

DOS

IR

Vibrations