Geometry & MOs
Info
ID: |
127587 |
PubChem CID: |
51007457 |
Reduced: |
O7C17H22 (1) |
Stoich.: |
A7B17C22 (1) |
Weight, g/mol: |
1361.475626 |
ΔHf, kcal/mol: |
-235.39 |
Dipole, Da: |
3.28 |
IP(EA), eV: |
-9.66(-0.3) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-acetamido-3-(1H-indol-3-yl)-N-[[(1R,3S,5S,6R,8S,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,33S,35S,36S,37S,38S,39S,40S,41S,42S,43S,44S,45R,46S,47S,48S,49S)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]propanamide