Geometry & MOs

Info

ID:

110981

PubChem CID:

50347080

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-229.98

Dipole, Da:

6.2

IP(EA), eV:

 -8.07(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C)OC

DOS

IR

Vibrations