Geometry & MOs

Info

ID:

119609

PubChem CID:

50693576

Reduced:

ClFO5N6C40H48 (1)

Stoich.:

ABC5D6E40F48 (1)

Weight, g/mol:

601.245582

ΔHf, kcal/mol:

-238.21

Dipole, Da:

2.83

IP(EA), eV:

 -9.13(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamidophenyl)-1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations