Geometry & MOs

Info

ID:

297367

PubChem CID:

117616317

Reduced:

OCl2N5F9H14C19 (1)

Stoich.:

AB2C5D9E14F19 (1)

Weight, g/mol:

836.788179

ΔHf, kcal/mol:

-421.75

Dipole, Da:

8.57

IP(EA), eV:

 -9.65(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)-1,7a-dihydropyrazolo[3,4-d]pyrimidin-3-yl]-N-(2,2,2-trichloroethoxycarbonyl)carbamate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)N2C(=C3C(=NC(=NC3=N2)C(F)(F)F)C(F)(F)F)NCCCCCO)Cl)C(F)(F)F

DOS

IR

Vibrations