Geometry & MOs
Info
ID: |
391460 |
PubChem CID: |
135005411 |
Reduced: |
ClNF2C4H7 (1) |
Stoich.: |
ABC2D4E7 (1) |
Weight, g/mol: |
388.99465 |
ΔHf, kcal/mol: |
-105.62 |
Dipole, Da: |
5.06 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.754409 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3Z)-3-(iodomethylidene)-5-methylidene-1-(4-methylphenyl)sulfonylpiperidine