Geometry & MOs
Info
ID: |
436988 |
PubChem CID: |
135213543 |
Reduced: |
IN2O2C5H9 (1) |
Stoich.: |
AB2C2D5E9 (1) |
Weight, g/mol: |
1293.557199 |
ΔHf, kcal/mol: |
-65.35 |
Dipole, Da: |
2.42 |
IP(EA), eV: |
-9.39(-3.0) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (6E,9R,15S,17S)-23-chloro-9-hydroxy-8,24-dimethoxy-3,14,17,21-tetramethyl-18-(2-methylpropanoyloxy)-11,20-dioxo-12,16-dioxa-4,10,21-triazapentacyclo[20.3.1.19,13.03,5.015,17]heptacosa-1(26),6,22,24-tetraene-4-carboxylate