Geometry & MOs
Info
ID: |
449458 |
PubChem CID: |
135298771 |
Reduced: |
PO5C9H17 (1) |
Stoich.: |
AB5C9D17 (1) |
Weight, g/mol: |
960.398616 |
ΔHf, kcal/mol: |
-259.83 |
Dipole, Da: |
5.47 |
IP(EA), eV: |
-9.96(0.79) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4R,7S,10S,13R,16S,19R)-10-(5-aminopentyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide