Geometry & MOs

Info

ID:

119153

PubChem CID:

50671612

Reduced:

ClFN6O6C41H48 (1)

Stoich.:

ABC6D6E41F48 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-264.57

Dipole, Da:

13.3

IP(EA), eV:

 -7.96(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=C(C=C6)F)OC

DOS

IR

Vibrations