Geometry & MOs

Info

ID:

97155

PubChem CID:

50028272

Reduced:

F4O5N6H36C38 (1)

Stoich.:

A4B5C6D36E38 (1)

Weight, g/mol:

620.255875

ΔHf, kcal/mol:

-318.41

Dipole, Da:

11.05

IP(EA), eV:

 -9.01(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations