Geometry & MOs

Info

ID:

110114

PubChem CID:

50310669

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-232.08

Dipole, Da:

4.32

IP(EA), eV:

 -8.47(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[3-[5-chloro-2-(dimethylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations