Geometry & MOs

Info

ID:

90879

PubChem CID:

49972405

Reduced:

FO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

678.390497

ΔHf, kcal/mol:

-252.07

Dipole, Da:

3.54

IP(EA), eV:

 -8.87(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C)F

DOS

IR

Vibrations