Geometry & MOs
Info
ID: |
127176 |
PubChem CID: |
50993377 |
Reduced: |
BrNO4C20H20 (1) |
Stoich.: |
ABC4D20E20 (1) |
Weight, g/mol: |
1671.995211 |
ΔHf, kcal/mol: |
-109.63 |
Dipole, Da: |
5.19 |
IP(EA), eV: |
-8.44(-0.23) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3S)-4-amino-3-[3-[2-[2-[2-[3-[2-[2-[2-[3-[2-[2-[2-[[(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoate