Geometry & MOs
Info
ID: |
230767 |
PubChem CID: |
87571956 |
Reduced: |
NC9H20 (2) |
Stoich.: |
AB9C20 (2) |
Weight, g/mol: |
939.390202 |
ΔHf, kcal/mol: |
-83.58 |
Dipole, Da: |
3.38 |
IP(EA), eV: |
-9.2(3.44) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[3-[[2-[[9-(3,4-dihydroxy-5-methoxyphenyl)-8-oxo-3,5,5a,6,8a,9-hexahydro-[2]benzofuro[5,6-f][1,2]benzodioxol-5-yl]amino]-2-oxoethyl]amino]propyl-phenylmethoxycarbonylamino]butyl-[3-(phenylmethoxycarbonylamino)propyl]carbamic acid