Geometry & MOs

Info

ID:

245634

PubChem CID:

99455697

Reduced:

SF3N3O3C20H26 (1)

Stoich.:

AB3C3D3E20F26 (1)

Weight, g/mol:

442.194023

ΔHf, kcal/mol:

-290.97

Dipole, Da:

4.23

IP(EA), eV:

 -9.18(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)C[C@@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations