Geometry & MOs
Info
ID: |
161574 |
PubChem CID: |
57392032 |
Reduced: |
FOSN4H13C15 (1) |
Stoich.: |
ABCD4E13F15 (1) |
Weight, g/mol: |
919.389825 |
ΔHf, kcal/mol: |
16.45 |
Dipole, Da: |
3.28 |
IP(EA), eV: |
-8.86(-1.01) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[1-[[3-[[2-(butylamino)-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(E)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid