Geometry & MOs

Info

ID:

109951

PubChem CID:

50302943

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-196.18

Dipole, Da:

6.58

IP(EA), eV:

 -8.6(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)phenyl]-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)CC5=CC=C(C=C5)F)C)F

DOS

IR

Vibrations