Geometry & MOs

Info

ID:

113966

PubChem CID:

50466418

Reduced:

FN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

599.290783

ΔHf, kcal/mol:

-199.05

Dipole, Da:

5.11

IP(EA), eV:

 -8.95(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclopentylcarbamoyl)phenyl]-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)NC3=CC=CC=C3C(=O)N4CCOCC4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations