Geometry & MOs
Info
ID: |
145185 |
PubChem CID: |
53475122 |
Reduced: |
ClNSO4H22C24 (1) |
Stoich.: |
ABCD4E22F24 (1) |
Weight, g/mol: |
1603.040462 |
ΔHf, kcal/mol: |
-116.81 |
Dipole, Da: |
2.46 |
IP(EA), eV: |
-8.62(-0.71) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[1-[(2S,3S)-2-[[2-[(4-methoxyphenyl)methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentyl]triazol-4-yl]methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-[2-[[1-[(2S,3S)-2-[[2-[(4-methoxyphenyl)methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentyl]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