Geometry & MOs
Info
ID: |
325897 |
PubChem CID: |
126685474 |
Reduced: |
SN2O2C8H16 (1) |
Stoich.: |
AB2C2D8E16 (1) |
Weight, g/mol: |
694.353084 |
ΔHf, kcal/mol: |
-89.01 |
Dipole, Da: |
5.82 |
IP(EA), eV: |
-9.37(0.4) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl 4-[[(1R,2S)-1-(4-chlorophenyl)-1-(2,2-dimethyloxan-4-yl)-3-[[(1S,2R)-2-[2-[(9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclopentyl]amino]-3-oxopropan-2-yl]amino]butanoate