Geometry & MOs

Info

ID:

107142

PubChem CID:

50191339

Reduced:

F2N5O5C36H41 (1)

Stoich.:

A2B5C5D36E41 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-256.59

Dipole, Da:

3.73

IP(EA), eV:

 -8.96(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[3-(piperidine-1-carbonyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)OC

DOS

IR

Vibrations