Geometry & MOs
Info
ID: |
84035 |
PubChem CID: |
49863520 |
Reduced: |
ON2C4H4 (3) |
Stoich.: |
AB2C4D4 (3) |
Weight, g/mol: |
1718.621103 |
ΔHf, kcal/mol: |
41.29 |
Dipole, Da: |
6.37 |
IP(EA), eV: |
-9.77(-1.18) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[2-[(2S,5R,8S,11S,14R,17S,22S)-17-[(1R)-1-hydroxyethyl]-22-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[6-methyloctanoyl(sulfomethyl)amino]-4-(sulfomethylamino)butanoyl]amino]butyl]amino]-4-(sulfomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11,14-bis[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid