Geometry & MOs

Info

ID:

101419

PubChem CID:

50064686

Reduced:

FN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

617.301348

ΔHf, kcal/mol:

-208.25

Dipole, Da:

9.68

IP(EA), eV:

 -8.65(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methoxy-5-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations