Geometry & MOs

Info

ID:

92206

PubChem CID:

49984100

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-250.18

Dipole, Da:

3.54

IP(EA), eV:

 -8.57(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations