Geometry & MOs
Info
ID: |
214808 |
PubChem CID: |
85083678 |
Reduced: |
PSiO2C35H66 (1) |
Stoich.: |
ABC2D35E66 (1) |
Weight, g/mol: |
614.317646 |
ΔHf, kcal/mol: |
-205.07 |
Dipole, Da: |
11.9 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.758983 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[10-[3-(diaminomethylideneamino)propyl]-11-methyl-3,6,9,12,15-pentaoxo-13-propan-2-yl-2,5,8,11,14-pentazatricyclo[14.6.2.019,23]tetracosa-16(24),17,19(23)-trien-4-yl]acetic acid