Geometry & MOs

Info

ID:

110509

PubChem CID:

50328264

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

559.23616

ΔHf, kcal/mol:

-208.07

Dipole, Da:

11.67

IP(EA), eV:

 -8.99(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)N4CCCC4)C(=O)N5CCCCC5

DOS

IR

Vibrations