Geometry & MOs

Info

ID:

116995

PubChem CID:

50584175

Reduced:

ClFO5N6C36H40 (1)

Stoich.:

ABC5D6E36F40 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-224.46

Dipole, Da:

3.71

IP(EA), eV:

 -9.26(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-chloro-4-(2-methylpropanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations