Geometry & MOs

Info

ID:

114845

PubChem CID:

50498831

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

587.267461

ΔHf, kcal/mol:

-215.38

Dipole, Da:

3.18

IP(EA), eV:

 -9.02(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-(3-fluoro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations