Geometry & MOs

Info

ID:

114987

PubChem CID:

50504818

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

535.179788

ΔHf, kcal/mol:

-226.91

Dipole, Da:

6.57

IP(EA), eV:

 -8.84(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[3-(2,5-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)N6CCCCC6)C)F

DOS

IR

Vibrations