Geometry & MOs

Info

ID:

114228

PubChem CID:

50474786

Reduced:

F3N6O6H37C38 (1)

Stoich.:

A3B6C6D37E38 (1)

Weight, g/mol:

666.277753

ΔHf, kcal/mol:

-299.89

Dipole, Da:

6.4

IP(EA), eV:

 -8.9(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-fluoro-3-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4OC)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations