Geometry & MOs

Info

ID:

117729

PubChem CID:

50613158

Reduced:

ClFO5N6C33H36 (1)

Stoich.:

ABC5D6E33F36 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-224.37

Dipole, Da:

5.05

IP(EA), eV:

 -8.32(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-(cyclohexanecarbonylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations