Geometry & MOs

Info

ID:

114932

PubChem CID:

50502057

Reduced:

Cl2O5N6C28H34 (1)

Stoich.:

A2B5C6D28E34 (1)

Weight, g/mol:

545.22051

ΔHf, kcal/mol:

-202.93

Dipole, Da:

11.13

IP(EA), eV:

 -9.1(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)Cl

DOS

IR

Vibrations