Geometry & MOs

Info

ID:

108000

PubChem CID:

50226464

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-236.22

Dipole, Da:

9.83

IP(EA), eV:

 -9.0(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations