Geometry & MOs

Info

ID:

119109

PubChem CID:

50670242

Reduced:

ClF3N5O5C30H35 (1)

Stoich.:

AB3C5D5E30F35 (1)

Weight, g/mol:

571.23616

ΔHf, kcal/mol:

-361.49

Dipole, Da:

3.36

IP(EA), eV:

 -9.27(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(4-fluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OC(F)(F)F)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations