Geometry & MOs

Info

ID:

106593

PubChem CID:

50170148

Reduced:

BrO5N6C36H47 (1)

Stoich.:

AB5C6D36E47 (1)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-217.61

Dipole, Da:

5.64

IP(EA), eV:

 -8.92(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C)Br

DOS

IR

Vibrations