Geometry & MOs
Info
ID: |
47378 |
PubChem CID: |
10532068 |
Reduced: |
H13C23 (1) |
Stoich.: |
A13B23 (1) |
Weight, g/mol: |
631.366159 |
ΔHf, kcal/mol: |
160.14 |
Dipole, Da: |
0.91 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 2.300607 |
Charge, e: |
0 |
Chem-info
IUPAC name:
16-nonadecan-10-yl-15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxylic acid