Geometry & MOs
Info
ID: |
84674 |
PubChem CID: |
49869265 |
Reduced: |
ClN2O3C35H54 (1) |
Stoich.: |
AB2C3D35E54 (1) |
Weight, g/mol: |
601.112347 |
ΔHf, kcal/mol: |
-129.7 |
Dipole, Da: |
3.66 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.087125 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[4-[2-[[(2S)-2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]-2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethyl]phenyl]sulfamic acid