Geometry & MOs

Info

ID:

90934

PubChem CID:

49972580

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-242.07

Dipole, Da:

2.86

IP(EA), eV:

 -8.89(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,4-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-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)NC(C)C(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations