Geometry & MOs

Info

ID:

119665

PubChem CID:

50695721

Reduced:

Cl3O4N5C29H34 (1)

Stoich.:

A3B4C5D29E34 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-179.97

Dipole, Da:

6.48

IP(EA), eV:

 -9.09(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-[(2-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations