Geometry & MOs

Info

ID:

93991

PubChem CID:

49997940

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

593.337733

ΔHf, kcal/mol:

-188.37

Dipole, Da:

8.34

IP(EA), eV:

 -8.63(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]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)F)NC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations