Geometry & MOs

Info

ID:

103696

PubChem CID:

50072311

Reduced:

FO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

599.290783

ΔHf, kcal/mol:

-179.6

Dipole, Da:

11.44

IP(EA), eV:

 -8.72(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)C)F)C

DOS

IR

Vibrations