Geometry & MOs

Info

ID:

423581

PubChem CID:

135119768

Reduced:

FO5N7C32H38 (1)

Stoich.:

AB5C7D32E38 (1)

Weight, g/mol:

629.299553

ΔHf, kcal/mol:

-161.28

Dipole, Da:

3.97

IP(EA), eV:

 -8.66(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-(2-amino-1,3-thiazole-4-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

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)CN4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations