Geometry & MOs

Info

ID:

230660

PubChem CID:

87571586

Reduced:

FN2O10C26H37 (1)

Stoich.:

AB2C10D26E37 (1)

Weight, g/mol:

639.130934

ΔHf, kcal/mol:

-458.08

Dipole, Da:

5.94

IP(EA), eV:

 -8.76(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-[5-[4-(pyrrolidine-1-carbonyl)phenoxy]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(O)OC2=NN(C(=C2CC3=C(C=C(C=C3)OC(C)C)F)C)C(C)C)O)O)O

DOS

IR

Vibrations