Geometry & MOs

Info

ID:

103987

PubChem CID:

50086571

Reduced:

ClFO4N5H35C36 (1)

Stoich.:

ABC4D5E35F36 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-147.53

Dipole, Da:

12.82

IP(EA), eV:

 -8.49(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5Cl)C

DOS

IR

Vibrations