Geometry & MOs

Info

ID:

115375

PubChem CID:

50521194

Reduced:

BrClO5N6C28H34 (1)

Stoich.:

ABC5D6E28F34 (1)

Weight, g/mol:

588.226324

ΔHf, kcal/mol:

-207.61

Dipole, Da:

5.95

IP(EA), eV:

 -9.04(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[2-[2-fluoro-5-(2-methylbutanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)N)Cl

DOS

IR

Vibrations