Geometry & MOs
Info
ID: |
446046 |
PubChem CID: |
135271961 |
Reduced: |
NO2C6H13 (1) |
Stoich.: |
AB2C6D13 (1) |
Weight, g/mol: |
807.362079 |
ΔHf, kcal/mol: |
-104.15 |
Dipole, Da: |
2.17 |
IP(EA), eV: |
-9.13(1.89) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[3-[[(2Z)-2-[2-[(Z,1S)-1-[(5S)-4-hydroxy-6-methyl-5-[[(5S)-6-methyl-5-methylsulfanyloxan-2-yl]oxyamino]oxan-2-yl]oxyhept-4-en-2,6-diynyl]-6-methyl-3-(methylamino)-4-oxocyclohex-2-en-1-ylidene]ethyl]disulfanyl]-5-[(2-methylpropan-2-yl)oxy]pentyl]formamide