Geometry & MOs
Info
ID: |
191317 |
PubChem CID: |
78129928 |
Reduced: |
NO5C15H17 (1) |
Stoich.: |
AB5C15D17 (1) |
Weight, g/mol: |
641.269692 |
ΔHf, kcal/mol: |
-92.99 |
Dipole, Da: |
5.75 |
IP(EA), eV: |
-9.82(-1.28) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[4-[[2-methoxy-6-(oxan-2-yloxy)-11-oxo-5-prop-2-enoxycarbonyl-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazole-2-carboxylic acid