Geometry & MOs

Info

ID:

108080

PubChem CID:

50229489

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-217.04

Dipole, Da:

17.33

IP(EA), eV:

 -8.55(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(butan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)F)C

DOS

IR

Vibrations