Geometry & MOs

Info

ID:

163933

PubChem CID:

74380904

Reduced:

BrO3N5C28H30 (1)

Stoich.:

AB3C5D28E30 (1)

Weight, g/mol:

587.181902

ΔHf, kcal/mol:

-21.73

Dipole, Da:

4.32

IP(EA), eV:

 -9.02(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-(1,1-difluoroethyl)phenyl]-1-[4-(trifluoromethoxy)phenyl]-3-[2-[6-(trifluoromethyl)pyridin-3-yl]propan-2-ylamino]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)N4C(=NC5=C4N=CC=C5)C6CCCN6)C(=O)O

DOS

IR

Vibrations