Geometry & MOs

Info

ID:

100786

PubChem CID:

50064022

Reduced:

ClFO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

655.23616

ΔHf, kcal/mol:

-174.92

Dipole, Da:

10.92

IP(EA), eV:

 -8.71(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(phenylcarbamoyl)phenyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC

DOS

IR

Vibrations