Geometry & MOs
Info
ID: |
125626 |
PubChem CID: |
50930349 |
Reduced: |
MnO2N3C18H21 (1) |
Stoich.: |
AB2C3D18E21 (1) |
Weight, g/mol: |
539.397459 |
ΔHf, kcal/mol: |
63.48 |
Dipole, Da: |
4.5 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.670214 |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl (2S)-2-[[(3aS,5aS,5bR,11aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl]amino]propanoate