Geometry & MOs

Info

ID:

101251

PubChem CID:

50064510

Reduced:

ClFO4N5H33C35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

655.23616

ΔHf, kcal/mol:

-139.57

Dipole, Da:

9.43

IP(EA), eV:

 -8.77(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(2-methylphenyl)carbamoyl]phenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]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)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations