Geometry & MOs

Info

ID:

110102

PubChem CID:

50309660

Reduced:

ClO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

559.259483

ΔHf, kcal/mol:

-133.77

Dipole, Da:

5.75

IP(EA), eV:

 -8.78(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N

DOS

IR

Vibrations