Geometry & MOs
Info
ID: |
59580 |
PubChem CID: |
24875333 |
Reduced: |
N2O3C28H37 (1) |
Stoich.: |
A2B3C28D37 (1) |
Weight, g/mol: |
1023.36792 |
ΔHf, kcal/mol: |
-45.95 |
Dipole, Da: |
4.76 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.867057 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[5-chloro-2-[(2S)-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxy-2-methylpropoxy]-4-hydroxyphenyl]acetamide;[2-[(R)-cyclohexyl-hydroxy-phenylmethyl]-1,3-oxazol-5-yl]methyl-dimethyl-(3-phenoxypropyl)azanium;bromide