Geometry & MOs

Info

ID:

114196

PubChem CID:

50473844

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-263.23

Dipole, Da:

6.22

IP(EA), eV:

 -8.95(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-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(=C3)C(=O)NC4CCCCC4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations