Geometry & MOs

Info

ID:

106022

PubChem CID:

50146689

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-228.13

Dipole, Da:

5.78

IP(EA), eV:

 -8.52(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations