Geometry & MOs

Info

ID:

416860

PubChem CID:

135090607

Reduced:

ON3C26H29 (1)

Stoich.:

AB3C26D29 (1)

Weight, g/mol:

629.299553

ΔHf, kcal/mol:

31.4

Dipole, Da:

1.68

IP(EA), eV:

 -8.53(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC=CC=C4OCC5=CC=CC=C5

DOS

IR

Vibrations