Geometry & MOs
Info
ID: |
133588 |
PubChem CID: |
51559071 |
Reduced: |
N3O4C26H32 (1) |
Stoich.: |
A3B4C26D32 (1) |
Weight, g/mol: |
469.239913 |
ΔHf, kcal/mol: |
-61.21 |
Dipole, Da: |
2.99 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.120188 |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-(3,4-dimethylphenyl)sulfonyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide