Geometry & MOs

Info

ID:

93271

PubChem CID:

49992855

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-237.8

Dipole, Da:

5.88

IP(EA), eV:

 -8.69(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-[(4-fluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC=C5)NC(=O)C(C)C

DOS

IR

Vibrations