Geometry & MOs

Info

ID:

96929

PubChem CID:

50025935

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-277.71

Dipole, Da:

1.44

IP(EA), eV:

 -8.87(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations