Geometry & MOs
Info
ID: |
51536 |
PubChem CID: |
12014219 |
Reduced: |
O2C13H13 (2) |
Stoich.: |
A2B13C13 (2) |
Weight, g/mol: |
806.400313 |
ΔHf, kcal/mol: |
-100.11 |
Dipole, Da: |
1.55 |
IP(EA), eV: |
-8.35(-0.46) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl (4R)-4-[(1S,4R,30S,31R,32R,35S,36S,39R,40S)-1,31-dimethyl-6,14,20,28-tetraoxo-5,29-dioxa-7,13,21,27,43,45-hexazaoctacyclo[28.9.2.14,39.18,12.115,19.122,26.031,35.036,40]pentatetraconta-8,10,12(45),15(44),16,18,22(43),23,25-nonaen-32-yl]pentanoate