Geometry & MOs
Info
ID: |
192079 |
PubChem CID: |
78224277 |
Reduced: |
FN2O7H21C25 (1) |
Stoich.: |
AB2C7D21E25 (1) |
Weight, g/mol: |
2347.013924 |
ΔHf, kcal/mol: |
-170.54 |
Dipole, Da: |
4.95 |
IP(EA), eV: |
-9.01(-1.47) |
Spin(Sz, S2): |
None, None |
Charge, e: |
1 |
Chem-info
IUPAC name:
[2-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34R)-28-[(2S)-butan-2-yl]-4-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-5-(diaminomethylamino)-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-7,13-bis(2-carboxyethyl)-31-(carboxymethyl)-22-[3-(diaminomethylamino)propyl]-10,16-bis(1H-indol-3-ylmethyl)-25-methyl-19-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]azanium