Geometry & MOs

Info

ID:

90609

PubChem CID:

49970714

Reduced:

FO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-274.43

Dipole, Da:

8.27

IP(EA), eV:

 -8.78(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]-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)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F

DOS

IR

Vibrations