Geometry & MOs

Info

ID:

414558

PubChem CID:

135087517

Reduced:

N2O4C15H24 (1)

Stoich.:

A2B4C15D24 (1)

Weight, g/mol:

733.379912

ΔHf, kcal/mol:

-143.29

Dipole, Da:

5.33

IP(EA), eV:

 -9.75(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations