Geometry & MOs
Info
ID: |
125813 |
PubChem CID: |
50939637 |
Reduced: |
ClO2F3N3H12C20 (1) |
Stoich.: |
AB2C3D3E12F20 (1) |
Weight, g/mol: |
585.291097 |
ΔHf, kcal/mol: |
-121.51 |
Dipole, Da: |
6.4 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.001397 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(8S,11S,14S)-14-amino-N-[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]ethyl]-11-(3-aminopropyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide