Geometry & MOs

Info

ID:

416116

PubChem CID:

135089124

Reduced:

SO5N8C32H48 (1)

Stoich.:

AB5C8D32E48 (1)

Weight, g/mol:

720.359511

ΔHf, kcal/mol:

-178.27

Dipole, Da:

10.7

IP(EA), eV:

 -8.69(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14S,21S,24R)-24-benzyl-14-[(2S)-butan-2-yl]-21-[(1R)-1-hydroxyethyl]-7-methoxy-5-oxa-1,13,16,20,23,26,29,30-octazatricyclo[26.2.1.06,11]hentriaconta-6(11),7,9,28(31),29-pentaene-12,15,19,22,25-pentone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)CC2=NC=CN2C)CC3=CC=CC=C3)C)CCSC)C(C)C

DOS

IR

Vibrations