Geometry & MOs

Info

ID:

112800

PubChem CID:

50420757

Reduced:

F2N5O5C37H37 (1)

Stoich.:

A2B5C5D37E37 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-215.49

Dipole, Da:

7.41

IP(EA), eV:

 -8.83(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations