Geometry & MOs

Info

ID:

93880

PubChem CID:

49997443

Reduced:

ClO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-166.3

Dipole, Da:

7.37

IP(EA), eV:

 -9.0(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[(4-fluorophenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC)Cl

DOS

IR

Vibrations