Geometry & MOs

Info

ID:

108705

PubChem CID:

50255347

Reduced:

FSO4N7C32H40 (1)

Stoich.:

ABC4D7E32F40 (1)

Weight, g/mol:

675.343212

ΔHf, kcal/mol:

-173.64

Dipole, Da:

13.02

IP(EA), eV:

 -8.47(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C)C

DOS

IR

Vibrations