Geometry & MOs
Info
ID: |
443831 |
PubChem CID: |
135260128 |
Reduced: |
PO2N3C13H25 (1) |
Stoich.: |
AB2C3D13E25 (1) |
Weight, g/mol: |
852.273784 |
ΔHf, kcal/mol: |
-117.87 |
Dipole, Da: |
6.5 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.761991 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[4-chloro-7-[2-[1-[[2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-3-yl]-1-methylindazol-3-yl]-2-pyrrolidin-1-ylacetamide