Geometry & MOs

Info

ID:

106765

PubChem CID:

50175548

Reduced:

N5O6C34H45 (1)

Stoich.:

A5B6C34D45 (1)

Weight, g/mol:

657.2326

ΔHf, kcal/mol:

-244.01

Dipole, Da:

7.09

IP(EA), eV:

 -8.32(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations