Geometry & MOs

Info

ID:

423183

PubChem CID:

135119059

Reduced:

N4O5C20H22 (1)

Stoich.:

A4B5C20D22 (1)

Weight, g/mol:

712.29874

ΔHf, kcal/mol:

-107.7

Dipole, Da:

3.46

IP(EA), eV:

 -9.22(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5)COC2=O

DOS

IR

Vibrations