Geometry & MOs

Info

ID:

90739

PubChem CID:

49971786

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-239.25

Dipole, Da:

6.37

IP(EA), eV:

 -8.77(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-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=C4C(=O)NC5=C(C=CC(=C5)F)C)C

DOS

IR

Vibrations