Geometry & MOs
Info
ID: |
232307 |
PubChem CID: |
87575951 |
Reduced: |
PO3C16H36 (1) |
Stoich.: |
AB3C16D36 (1) |
Weight, g/mol: |
1003.393664 |
ΔHf, kcal/mol: |
-241.73 |
Dipole, Da: |
1.83 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.765915 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-N-formylanilino]-5-[2-[2-[2-[2-[[2-[4-[5-(methoxycarbonylamino)-4-oxo-1H-indeno[1,2-c]pyrazol-3-yl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid