Geometry & MOs

Info

ID:

110496

PubChem CID:

50327212

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-221.94

Dipole, Da:

10.46

IP(EA), eV:

 -8.65(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC(C)C)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations