Geometry & MOs

Info

ID:

446431

PubChem CID:

135274925

Reduced:

NO34C42H71 (1)

Stoich.:

AB34C42D71 (1)

Weight, g/mol:

482.15413

ΔHf, kcal/mol:

-1201.05

Dipole, Da:

8.58

IP(EA), eV:

 -8.4(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-2-fluoro-4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C(CN)C1/C(=C(/C(OC(C(=C(C(OC(/C(=C(/C(OC(/C(=C(/C(OC2C(OC(C(C2O)O)OC(/C(=C(/C(OC3C(OC(O1)C(C3O)O)CO)O)\O)/O)CCO)CO)O)\O)/O)CCO)O)\O)/O)CCO)O)O)O)CCO)O)\O)/O

DOS

IR

Vibrations