Geometry & MOs

Info

ID:

100249

PubChem CID:

50059475

Reduced:

O4F5N5C34H36 (1)

Stoich.:

A4B5C5D34E36 (1)

Weight, g/mol:

623.271939

ΔHf, kcal/mol:

-379.1

Dipole, Da:

11.31

IP(EA), eV:

 -8.98(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations