Geometry & MOs

Info

ID:

115388

PubChem CID:

50521443

Reduced:

FN5O6C35H40 (1)

Stoich.:

AB5C6D35E40 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-244.47

Dipole, Da:

8.94

IP(EA), eV:

 -8.82(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2,5-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC)C)F

DOS

IR

Vibrations