Geometry & MOs

Info

ID:

116610

PubChem CID:

50568013

Reduced:

ClFN5O5C33H37 (1)

Stoich.:

ABC5D5E33F37 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-218.56

Dipole, Da:

11.47

IP(EA), eV:

 -8.77(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4OC)Cl

DOS

IR

Vibrations