Geometry & MOs

Info

ID:

108355

PubChem CID:

50242384

Reduced:

FN5O5C36H42 (1)

Stoich.:

AB5C5D36E42 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-215.14

Dipole, Da:

13.04

IP(EA), eV:

 -8.97(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C)C

DOS

IR

Vibrations