Geometry & MOs
Info
ID: |
337534 |
PubChem CID: |
127258157 |
Reduced: |
ClFNC11H15 (1) |
Stoich.: |
ABCD11E15 (1) |
Weight, g/mol: |
1164.469215 |
ΔHf, kcal/mol: |
-72.67 |
Dipole, Da: |
3.05 |
IP(EA), eV: |
-9.37(0.11) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[4-[[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-10-(3-amino-3-oxopropyl)-13-benzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-16-yl]methyl]phenyl] acetate;trihydrate