Geometry & MOs
Info
ID: |
326647 |
PubChem CID: |
126687941 |
Reduced: |
NO2C12H23 (1) |
Stoich.: |
AB2C12D23 (1) |
Weight, g/mol: |
1004.569503 |
ΔHf, kcal/mol: |
-123.25 |
Dipole, Da: |
2.59 |
IP(EA), eV: |
-9.72(0.71) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(8S,11S,14S)-14-[[2-[[(2S)-2-amino-2-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]-methylamino]-3,18-dihydroxy-N-[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide