Geometry & MOs
Info
ID: |
313803 |
PubChem CID: |
126617864 |
Reduced: |
NOC7H9 (2) |
Stoich.: |
ABC7D9 (2) |
Weight, g/mol: |
2296.180055 |
ΔHf, kcal/mol: |
-61.26 |
Dipole, Da: |
3.11 |
IP(EA), eV: |
-8.81(-0.95) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6S,9S,12S,15S,18S,21S,24S)-24-[[2-[2-[2-[[(6S,9S,12S,15S,18S,21S,24S)-24-[[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-9-(4-aminobutyl)-12-(2-amino-2-oxoethyl)-21-(3-carbamimidamidopropyl)-18-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carbonyl]amino]ethoxy]ethoxy]acetyl]amino]-18,21-bis(3-carbamimidamidopropyl)-12-(1-hydroxyethyl)-9-(hydroxymethyl)-15-methyl-8,11,14,17,20,23-hexaoxo-1,7,10,13,16,19,22,27,28-nonazabicyclo[24.2.1]nonacosa-26(29),27-diene-6-carboxamide