Geometry & MOs

Info

ID:

96820

PubChem CID:

50024680

Reduced:

ClFO4N5H35C36 (1)

Stoich.:

ABC4D5E35F36 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-143.01

Dipole, Da:

8.45

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylpropanoylamino)phenyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations