Geometry & MOs
Info
ID: |
426329 |
PubChem CID: |
135143424 |
Reduced: |
N3C15H17 (1) |
Stoich.: |
A3B15C17 (1) |
Weight, g/mol: |
643.301468 |
ΔHf, kcal/mol: |
107.17 |
Dipole, Da: |
4.26 |
IP(EA), eV: |
-8.1(-0.45) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[3-amino-4-[amino(ethyl)amino]-2-methylphenyl]-1-[4-(3,4-dihydro-5,1,2-benzoxathiazepin-2-ylmethyl)-5-methyl-1,3-thiazol-2-yl]-2,2,4-trimethyl-5-phenylpentan-3-one