Geometry & MOs

Info

ID:

80453

PubChem CID:

49834542

Reduced:

SO3N4F7H23C30 (1)

Stoich.:

AB3C4D7E23F30 (1)

Weight, g/mol:

652.137909

ΔHf, kcal/mol:

-381.74

Dipole, Da:

6.74

IP(EA), eV:

 -9.92(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-(4-fluorophenyl)sulfonyl-N-[[2-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=NC(=N3)C4=CC(=CC=C4)C(F)(F)F)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations