Geometry & MOs

Info

ID:

101678

PubChem CID:

50064950

Reduced:

FN5O5C37H38 (1)

Stoich.:

AB5C5D37E38 (1)

Weight, g/mol:

655.23616

ΔHf, kcal/mol:

-178.58

Dipole, Da:

4.15

IP(EA), eV:

 -8.6(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]phenyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations