Geometry & MOs

Info

ID:

112893

PubChem CID:

50424594

Reduced:

FO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-207.22

Dipole, Da:

4.71

IP(EA), eV:

 -8.94(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetamido-4-fluoroanilino)-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)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)N4CCCC4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations