Geometry & MOs

Info

ID:

92331

PubChem CID:

49985167

Reduced:

FN6O6C41H51 (1)

Stoich.:

AB6C6D41E51 (1)

Weight, g/mol:

742.385412

ΔHf, kcal/mol:

-274.7

Dipole, Da:

8.64

IP(EA), eV:

 -8.87(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC

DOS

IR

Vibrations