Geometry & MOs

Info

ID:

106409

PubChem CID:

50162466

Reduced:

FO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

636.343547

ΔHf, kcal/mol:

-239.39

Dipole, Da:

10.72

IP(EA), eV:

 -8.92(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C)F

DOS

IR

Vibrations