Geometry & MOs
Info
ID: |
26315 |
PubChem CID: |
644075 |
Reduced: |
O3C16H24 (1) |
Stoich.: |
A3B16C24 (1) |
Weight, g/mol: |
1055.431707 |
ΔHf, kcal/mol: |
-86.45 |
Dipole, Da: |
2.62 |
IP(EA), eV: |
-8.89(0.14) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide