Geometry & MOs
Info
ID: |
415642 |
PubChem CID: |
135088641 |
Reduced: |
O2N3C13H21 (1) |
Stoich.: |
A2B3C13D21 (1) |
Weight, g/mol: |
754.314869 |
ΔHf, kcal/mol: |
-56.27 |
Dipole, Da: |
2.9 |
IP(EA), eV: |
-9.06(-0.53) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,6R,9S,15R)-4-(1,3-benzothiazole-6-carbonyl)-9-benzyl-13-(2-methoxyethyl)-15-(2-methylpropyl)-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone