Geometry & MOs

Info

ID:

111654

PubChem CID:

50376660

Reduced:

F2N5O5C31H39 (1)

Stoich.:

A2B5C5D31E39 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-287.49

Dipole, Da:

4.74

IP(EA), eV:

 -8.9(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)F)F)C(=O)N4CCOCC4

DOS

IR

Vibrations