Geometry & MOs

Info

ID:

108873

PubChem CID:

50262469

Reduced:

FN3O3C19H22 (2)

Stoich.:

AB3C3D19E22 (2)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-297.36

Dipole, Da:

5.24

IP(EA), eV:

 -8.95(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclopentylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations