Geometry & MOs
Info
ID: |
227037 |
PubChem CID: |
87559847 |
Reduced: |
AlNC13H23 (1) |
Stoich.: |
ABC13D23 (1) |
Weight, g/mol: |
1044.643897 |
ΔHf, kcal/mol: |
15.47 |
Dipole, Da: |
2.14 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.756510 |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-[6-[[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoyl]pyrrolidin-3-yl]oxy-4-oxobutanoic acid