Geometry & MOs

Info

ID:

421831

PubChem CID:

135116693

Reduced:

FN4O4C28H31 (1)

Stoich.:

AB4C4D28E31 (1)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-133.49

Dipole, Da:

5.55

IP(EA), eV:

 -9.06(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-13-(1,3,7-trimethylindole-2-carbonyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=CC(=CC(=C3)F)O2)CC4=CC=CC=N4

DOS

IR

Vibrations