Geometry & MOs

Info

ID:

97794

PubChem CID:

50035075

Reduced:

F3O5N6C43H47 (1)

Stoich.:

A3B5C6D43E47 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-297.99

Dipole, Da:

2.67

IP(EA), eV:

 -8.67(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C)F

DOS

IR

Vibrations