Geometry & MOs

Info

ID:

119505

PubChem CID:

50688205

Reduced:

ClN3O3C17H21 (2)

Stoich.:

AB3C3D17E21 (2)

Weight, g/mol:

708.263852

ΔHf, kcal/mol:

-248.06

Dipole, Da:

6.67

IP(EA), eV:

 -9.2(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations