Geometry & MOs
Info
ID: |
439457 |
PubChem CID: |
135229231 |
Reduced: |
SN5O5C18H31 (1) |
Stoich.: |
AB5C5D18E31 (1) |
Weight, g/mol: |
729.292927 |
ΔHf, kcal/mol: |
-107.83 |
Dipole, Da: |
5.91 |
IP(EA), eV: |
-8.61(-0.44) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl 6-[[(2S)-1-[[(2S)-1-[3-[2-[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]ethyl]-5-(chloromethyl)anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-6-oxohexanoate