Geometry & MOs

Info

ID:

96815

PubChem CID:

50024651

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

661.283111

ΔHf, kcal/mol:

-185.05

Dipole, Da:

10.51

IP(EA), eV:

 -9.02(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexylcarbamoyl)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=CC=CC(=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations