Geometry & MOs

Info

ID:

112937

PubChem CID:

50426342

Reduced:

ClF4O4N5C33H34 (1)

Stoich.:

AB4C4D5E33F34 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-341.24

Dipole, Da:

6.35

IP(EA), eV:

 -9.06(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations