Geometry & MOs

Info

ID:

423323

PubChem CID:

135119312

Reduced:

O3N4C20H26 (1)

Stoich.:

A3B4C20D26 (1)

Weight, g/mol:

736.358448

ΔHf, kcal/mol:

-78.24

Dipole, Da:

4.63

IP(EA), eV:

 -9.01(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-23-methoxy-13-(2-methoxybenzoyl)-5-[2-(2-phenylimidazol-1-yl)acetyl]-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C=C(C=N2)CN3CCN(C(=O)C3)CC(=O)O

DOS

IR

Vibrations