Geometry & MOs

Info

ID:

97909

PubChem CID:

50036748

Reduced:

FO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

623.271939

ΔHf, kcal/mol:

-186.06

Dipole, Da:

10.77

IP(EA), eV:

 -8.67(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-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(=CC=C1)C(=O)NC2=CC=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations