Geometry & MOs

Info

ID:

189516

PubChem CID:

77867884

Reduced:

SO4F5N5H28C29 (1)

Stoich.:

AB4C5D5E28F29 (1)

Weight, g/mol:

548.226883

ΔHf, kcal/mol:

-335.27

Dipole, Da:

7.87

IP(EA), eV:

 -8.67(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-4-(2-oxopyrrolidin-3-yl)-N-[(4-propan-2-ylphenyl)methyl]piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)CNC(=O)C2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)C4=CC5=C(N4)C=NC=C5)(F)F

DOS

IR

Vibrations