Geometry & MOs

Info

ID:

100903

PubChem CID:

50064155

Reduced:

FN5O5C31H34 (1)

Stoich.:

AB5C5D31E34 (1)

Weight, g/mol:

617.301348

ΔHf, kcal/mol:

-208.62

Dipole, Da:

10.67

IP(EA), eV:

 -8.38(-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-[4-methoxy-3-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C

DOS

IR

Vibrations