Geometry & MOs

Info

ID:

92209

PubChem CID:

49984206

Reduced:

F2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

724.29478

ΔHf, kcal/mol:

-273.71

Dipole, Da:

5.55

IP(EA), eV:

 -9.0(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)F)C

DOS

IR

Vibrations