Geometry & MOs

Info

ID:

104124

PubChem CID:

50092022

Reduced:

FO5N6C31H33 (1)

Stoich.:

AB5C6D31E33 (1)

Weight, g/mol:

636.226324

ΔHf, kcal/mol:

-200.45

Dipole, Da:

11.48

IP(EA), eV:

 -8.7(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)N

DOS

IR

Vibrations