Geometry & MOs
Info
ID: |
178330 |
PubChem CID: |
76310717 |
Reduced: |
ClN4O4H17C21 (1) |
Stoich.: |
AB4C4D17E21 (1) |
Weight, g/mol: |
1914.860419 |
ΔHf, kcal/mol: |
-26.33 |
Dipole, Da: |
3.75 |
IP(EA), eV: |
-9.29(-1.66) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[(2S)-2-[[(2S,3R)-2-[[(4R,7S,10S,13R,16S,19R)-19-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid