Geometry & MOs

Info

ID:

97290

PubChem CID:

50029782

Reduced:

FN3O3C19H19 (2)

Stoich.:

AB3C3D19E19 (2)

Weight, g/mol:

726.297739

ΔHf, kcal/mol:

-254.1

Dipole, Da:

13.08

IP(EA), eV:

 -8.88(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

DOS

IR

Vibrations