Geometry & MOs

Info

ID:

445540

PubChem CID:

135267833

Reduced:

SN3O4F7H24C30 (1)

Stoich.:

AB3C4D7E24F30 (1)

Weight, g/mol:

679.121176

ΔHf, kcal/mol:

-346.05

Dipole, Da:

2.37

IP(EA), eV:

 -8.82(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-difluoro-2-[5-[4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]-1-methylpyrazol-3-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=C(C=CC(=C2)C3=CC(=C(C(=C3)SC)COO)F)C(=NC)/C=C(/C(F)(F)F)\N)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations