Geometry & MOs

Info

ID:

379546

PubChem CID:

134443877

Reduced:

ClSO3F6N7H34C38 (1)

Stoich.:

ABC3D6E7F34G38 (1)

Weight, g/mol:

342.153068

ΔHf, kcal/mol:

-220.84

Dipole, Da:

8.77

IP(EA), eV:

 -7.97(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-heptan-4-yl-5,6-dihydroindazole

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3C)NS(=O)C)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7CC[C@H]7C6(F)F)C(=N5)C(F)F)O

DOS

IR

Vibrations