Geometry & MOs

Info

ID:

114136

PubChem CID:

50473132

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-226.87

Dipole, Da:

10.07

IP(EA), eV:

 -8.96(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(C)C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations