Geometry & MOs

Info

ID:

100301

PubChem CID:

50059717

Reduced:

FO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

623.271939

ΔHf, kcal/mol:

-177.35

Dipole, Da:

11.57

IP(EA), eV:

 -8.65(-1.0)

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-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations