Geometry & MOs

Info

ID:

375887

PubChem CID:

134221881

Reduced:

FNO4C35H48 (1)

Stoich.:

ABC4D35E48 (1)

Weight, g/mol:

504.159154

ΔHf, kcal/mol:

-251.43

Dipole, Da:

5.39

IP(EA), eV:

 -8.23(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6-chloropyridin-3-yl)methyl]-2-ethyl-4-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](C2=C(C3=C(C=C2C)NCC3)C4=CC(=C5C(=C4C)CCCO5)F)OC(C)(C)C)C(C)C

DOS

IR

Vibrations