Geometry & MOs

Info

ID:

104900

PubChem CID:

50105901

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-239.49

Dipole, Da:

10.69

IP(EA), eV:

 -8.59(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)C)F)C

DOS

IR

Vibrations