Geometry & MOs

Info

ID:

96438

PubChem CID:

50021017

Reduced:

FN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-208.25

Dipole, Da:

7.23

IP(EA), eV:

 -9.03(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations