Geometry & MOs

Info

ID:

95861

PubChem CID:

50015929

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-180.45

Dipole, Da:

9.54

IP(EA), eV:

 -8.74(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[3-methyl-4-(2-methylbutanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations