Geometry & MOs

Info

ID:

112327

PubChem CID:

50402447

Reduced:

ClF2O5N6C41H47 (1)

Stoich.:

AB2C5D6E41F47 (1)

Weight, g/mol:

664.374847

ΔHf, kcal/mol:

-273.96

Dipole, Da:

7.59

IP(EA), eV:

 -9.1(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-3-oxopropyl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=CC(=C6)F)F

DOS

IR

Vibrations