Geometry & MOs

Info

ID:

116073

PubChem CID:

50545724

Reduced:

ClFO5N6C35H46 (1)

Stoich.:

ABC5D6E35F46 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-275.45

Dipole, Da:

7.82

IP(EA), eV:

 -8.88(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-6-(piperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)C)F)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations