Geometry & MOs

Info

ID:

421245

PubChem CID:

135115643

Reduced:

ClON4C19H19 (1)

Stoich.:

ABC4D19E19 (1)

Weight, g/mol:

732.359511

ΔHf, kcal/mol:

25.89

Dipole, Da:

2.78

IP(EA), eV:

 -8.52(-0.37)

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]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC=C(C=N3)Cl)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations