Geometry & MOs

Info

ID:

110877

PubChem CID:

50342631

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

565.306433

ΔHf, kcal/mol:

-278.3

Dipole, Da:

3.24

IP(EA), eV:

 -8.9(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-fluoroanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations