Geometry & MOs

Info

ID:

99406

PubChem CID:

50050651

Reduced:

FN3O3C19H22 (2)

Stoich.:

AB3C3D19E22 (2)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-298.6

Dipole, Da:

4.82

IP(EA), eV:

 -9.24(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-[(3-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOCC2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations