Geometry & MOs

Info

ID:

112938

PubChem CID:

50426403

Reduced:

FO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-215.99

Dipole, Da:

4.76

IP(EA), eV:

 -8.92(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(dimethylcarbamoyl)anilino]-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)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC4=CC=C(C=C4)F)C(=O)N

DOS

IR

Vibrations