Geometry & MOs
Info
ID: |
449251 |
PubChem CID: |
135297172 |
Reduced: |
NO4C13H27 (1) |
Stoich.: |
AB4C13D27 (1) |
Weight, g/mol: |
823.426862 |
ΔHf, kcal/mol: |
-212.04 |
Dipole, Da: |
1.88 |
IP(EA), eV: |
-8.87(0.31) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[[2-[(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-(aminomethyl)-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanoyl]amino]-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]acetyl]amino]-3-phenylpropanoic acid