Geometry & MOs
Info
ID: |
181263 |
PubChem CID: |
76724273 |
Reduced: |
BrNO3C45H89 (1) |
Stoich.: |
ABC3D45E89 (1) |
Weight, g/mol: |
711.276041 |
ΔHf, kcal/mol: |
-236.04 |
Dipole, Da: |
2.25 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751391 |
Charge, e: |
0 |
Chem-info
IUPAC name:
14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[6-oxo-4,5-di(thiophen-3-yl)-4,5-dihydropyridazin-1-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid