Geometry & MOs
Info
ID: |
125075 |
PubChem CID: |
50909091 |
Reduced: |
HgNO6H8C9 (1) |
Stoich.: |
ABC6D8E9 (1) |
Weight, g/mol: |
565.251479 |
ΔHf, kcal/mol: |
-109.71 |
Dipole, Da: |
6.74 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.773261 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6R)-1-chloro-3-[(4-methoxyphenyl)methylamino]-6-[(2R)-2-[(1R,2S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pent-4-enoyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-4-one