Geometry & MOs
Info
ID: |
136637 |
PubChem CID: |
52076451 |
Reduced: |
ClOSN4C30H38 (1) |
Stoich.: |
ABCD4E30F38 (1) |
Weight, g/mol: |
536.237661 |
ΔHf, kcal/mol: |
3.53 |
Dipole, Da: |
6.25 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.122938 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]-4-chloro-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxamide