Geometry & MOs

Info

ID:

106436

PubChem CID:

50163461

Reduced:

O5N6C37H44 (1)

Stoich.:

A5B6C37D44 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-176.46

Dipole, Da:

8.06

IP(EA), eV:

 -8.83(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations