Geometry & MOs

Info

ID:

318417

PubChem CID:

126651242

Reduced:

SN4O6C23H28 (1)

Stoich.:

AB4C6D23E28 (1)

Weight, g/mol:

622.169364

ΔHf, kcal/mol:

-67.98

Dipole, Da:

5.55

IP(EA), eV:

 -8.94(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-[(2S)-oxan-2-yl]propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3CCN(C3)C4COC4)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations