Geometry & MOs
Info
ID: |
320892 |
PubChem CID: |
126664127 |
Reduced: |
S2N4O4F6C17H18 (1) |
Stoich.: |
A2B4C4D6E17F18 (1) |
Weight, g/mol: |
1323.548176 |
ΔHf, kcal/mol: |
-440.35 |
Dipole, Da: |
5.19 |
IP(EA), eV: |
-8.84(-1.16) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[[(1S)-1-carboxy-4-[[7-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-5-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]carbamothioylamino]pentyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-ethyl-2,5-dimethyl-7-oxoheptan-2-yl]amino]-4-oxobutyl]carbamoylamino]pentanedioic acid