Geometry & MOs

Info

ID:

230621

PubChem CID:

87571497

Reduced:

O13C76H126 (1)

Stoich.:

A13B76C126 (1)

Weight, g/mol:

668.157483

ΔHf, kcal/mol:

-682.67

Dipole, Da:

4.56

IP(EA), eV:

 -9.2(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[4-(azetidine-1-carbonyl)phenoxy]-1,3-thiazol-2-yl]-2-(2,4-difluorophenoxy)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCOC[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C

DOS

IR

Vibrations