Geometry & MOs
Info
ID: |
163277 |
PubChem CID: |
57686777 |
Reduced: |
N2P2O3C5H13 (1) |
Stoich.: |
A2B2C3D5E13 (1) |
Weight, g/mol: |
717.294468 |
ΔHf, kcal/mol: |
-115.86 |
Dipole, Da: |
2.68 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.757105 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1S,4R,6R,7Z,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(6-methylpyridin-2-yl)quinazolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13,15-triazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide