Geometry & MOs
Info
ID: |
148439 |
PubChem CID: |
53788101 |
Reduced: |
OCl5H5C9 (1) |
Stoich.: |
AB5C5D9 (1) |
Weight, g/mol: |
896.427984 |
ΔHf, kcal/mol: |
-23.09 |
Dipole, Da: |
2.58 |
IP(EA), eV: |
-9.71(-1.26) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S)-4-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]-4-oxobutanoic acid