Geometry & MOs
Info
ID: |
229432 |
PubChem CID: |
87567636 |
Reduced: |
ClON3H12C13 (1) |
Stoich.: |
ABC3D12E13 (1) |
Weight, g/mol: |
1322.36803 |
ΔHf, kcal/mol: |
31.42 |
Dipole, Da: |
2.18 |
IP(EA), eV: |
-9.63(-1.04) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[[(2S)-2-[4-[[2-[[bis(4-methoxyphenyl)-phenylmethyl]sulfamoyl]-1,3-benzothiazol-6-yl]oxymethyl]triazol-1-yl]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[[3-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]methylsulfanyl]propanoic acid