Geometry & MOs

Info

ID:

445541

PubChem CID:

135267834

Reduced:

SN3F6O6H23C31 (1)

Stoich.:

AB3C6D6E23F31 (1)

Weight, g/mol:

649.146996

ΔHf, kcal/mol:

-407.13

Dipole, Da:

8.67

IP(EA), eV:

 -9.31(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[4-[4-(difluoromethoxy)-3-fluorophenyl]-2-methyl-1,3-oxazol-5-yl]-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfanylphenyl]phenyl]-1-methylpyrazol-3-yl]-2,2-difluoroethanol

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=C(C=CC(=C2)C3=CC(=C(C(=C3)S(=O)(=O)C)CO)F)C4=CC(=NN4C)C(C=O)(F)F)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations