Geometry & MOs
Info
ID: |
145180 |
PubChem CID: |
53474756 |
Reduced: |
BrN2H7C11 (1) |
Stoich.: |
AB2C7D11 (1) |
Weight, g/mol: |
1606.998991 |
ΔHf, kcal/mol: |
89.93 |
Dipole, Da: |
2.07 |
IP(EA), eV: |
-8.56(-1.05) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[1-[(2S)-2-[[2-[(2,4-dimethoxyphenyl)methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-methylpropanoyl]amino]propyl]triazol-4-yl]methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-[2-[[1-[(2S)-2-[[2-[(2,4-dimethoxyphenyl)methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-methylpropanoyl]amino]propyl]triazol-4-yl]methoxy]acetyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate