Geometry & MOs

Info

ID:

179892

PubChem CID:

76550467

Reduced:

ClF3O3N8H20C23 (1)

Stoich.:

AB3C3D8E20F23 (1)

Weight, g/mol:

590.291591

ΔHf, kcal/mol:

-114.62

Dipole, Da:

2.24

IP(EA), eV:

 -9.44(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-butyl-2,5-dioxopiperazin-1-yl)-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]acetamide;formic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)NC(=O)C(COC2CCC2)OC3=NC=NC4=C3C=NN4C5=C(C=C(C=N5)Cl)C(F)(F)F

DOS

IR

Vibrations