Geometry & MOs

Info

ID:

322858

PubChem CID:

126671480

Reduced:

BrF2O3N6H25C28 (1)

Stoich.:

AB2C3D6E25F28 (1)

Weight, g/mol:

465.239434

ΔHf, kcal/mol:

-103.62

Dipole, Da:

9.89

IP(EA), eV:

 -8.96(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethyl]-1-[2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1NC(=O)[C@@H]2C[C@H](CC2C(=O)CN3C4=C(C=C(C=C4)C5=CN=C(N=C5)C)C(=N3)C(=O)C)F)Br)F

DOS

IR

Vibrations