Geometry & MOs

Info

ID:

95744

PubChem CID:

50013361

Reduced:

O4N5C35H43 (1)

Stoich.:

A4B5C35D43 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-140.51

Dipole, Da:

7.41

IP(EA), eV:

 -8.37(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-[(2,4-difluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations