Geometry & MOs

Info

ID:

92182

PubChem CID:

49983951

Reduced:

O5N6C37H48 (1)

Stoich.:

A5B6C37D48 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-203.36

Dipole, Da:

13.87

IP(EA), eV:

 -8.72(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(3-fluoro-4-methylphenyl)carbamoyl]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)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)N6CCCC6

DOS

IR

Vibrations