Geometry & MOs

Info

ID:

99874

PubChem CID:

50055811

Reduced:

FN3O3C19H21 (2)

Stoich.:

AB3C3D19E21 (2)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-286.43

Dipole, Da:

7.23

IP(EA), eV:

 -9.03(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)N6CCOCC6

DOS

IR

Vibrations