Geometry & MOs
Info
ID: |
81895 |
PubChem CID: |
49855318 |
Reduced: |
N2C21H29 (1) |
Stoich.: |
A2B21C29 (1) |
Weight, g/mol: |
536.20309 |
ΔHf, kcal/mol: |
65.64 |
Dipole, Da: |
1.29 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.750660 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-aminobutanedioic acid;7-[(3R,4Z)-3-(aminomethyl)-4-methoxyimino-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid