Geometry & MOs
Info
ID: |
313820 |
PubChem CID: |
126618065 |
Reduced: |
ION3H8C11 (1) |
Stoich.: |
ABC3D8E11 (1) |
Weight, g/mol: |
1370.71289 |
ΔHf, kcal/mol: |
46.59 |
Dipole, Da: |
2.5 |
IP(EA), eV: |
-8.31(-0.73) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[(6S,9S,12S,15S,18S,21S,24S)-6-[3-[2-[2-[3-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-24-amino-12-(3-amino-3-oxopropyl)-9-[3-(diaminomethylideneamino)propyl]-21-[(4-hydroxyphenyl)methyl]-15-(2-methylpropyl)-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-dien-18-yl]acetic acid