Geometry & MOs
Info
ID: |
434428 |
PubChem CID: |
135174914 |
Reduced: |
FNSO4C17H26 (1) |
Stoich.: |
ABCD4E17F26 (1) |
Weight, g/mol: |
1502.626876 |
ΔHf, kcal/mol: |
-205.61 |
Dipole, Da: |
4.86 |
IP(EA), eV: |
-8.21(-0.09) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[1-[2-[[(1R)-1-[[(21S,24S)-21-tert-butyl-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamoyl]cyclopropyl]-2-methylpropan-2-yl] N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate