Geometry & MOs
Info
ID: |
313800 |
PubChem CID: |
126617842 |
Reduced: |
N3O5C12H13 (1) |
Stoich.: |
A3B5C12D13 (1) |
Weight, g/mol: |
1256.658729 |
ΔHf, kcal/mol: |
-144.37 |
Dipole, Da: |
7.52 |
IP(EA), eV: |
-9.0(-1.84) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[(6S,9S,12S,18S,21S,24S)-6-[3-[2-[2-[3-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-24-amino-18-[(4-hydroxyphenyl)methyl]-21-(2-methylpropyl)-8,11,14,17,20,23-hexaoxo-9-propan-2-yl-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-dien-12-yl]propanoic acid