Geometry & MOs
Info
ID: |
326690 |
PubChem CID: |
126688012 |
Reduced: |
NC4H8 (2) |
Stoich.: |
AB4C8 (2) |
Weight, g/mol: |
909.484771 |
ΔHf, kcal/mol: |
21.34 |
Dipole, Da: |
2.14 |
IP(EA), eV: |
-8.12(1.34) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[(8S)-14-[[2-[[2-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]-methylamino]-3,18-dihydroxy-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carbonyl]amino]acetic acid