Geometry & MOs

Info

ID:

90189

PubChem CID:

49967541

Reduced:

ClO5N6C36H47 (1)

Stoich.:

AB5C6D36E47 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-218.2

Dipole, Da:

13.83

IP(EA), eV:

 -8.76(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations