Geometry & MOs
Info
ID: |
381110 |
PubChem CID: |
134971754 |
Reduced: |
NO2C11H14 (1) |
Stoich.: |
AB2C11D14 (1) |
Weight, g/mol: |
627.283903 |
ΔHf, kcal/mol: |
-26.53 |
Dipole, Da: |
3.96 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.130030 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,11S,18S,21Z)-21-(1-hydroxyethylidene)-18,23-dimethyl-11-(2-methylpropyl)-2-propan-2-yl-16-oxa-26-thia-3,9,12,19,22,27,28-heptazatetracyclo[22.2.1.114,17.05,9]octacosa-1(27),14,17(28),22,24-pentaene-4,10,13,20-tetrone