Geometry & MOs

Info

ID:

114330

PubChem CID:

50479339

Reduced:

FO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

601.270047

ΔHf, kcal/mol:

-195.65

Dipole, Da:

6.49

IP(EA), eV:

 -8.59(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=CC=CC=C6C)C)F

DOS

IR

Vibrations