Geometry & MOs

Info

ID:

104081

PubChem CID:

50087207

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-190.23

Dipole, Da:

4.38

IP(EA), eV:

 -8.73(-0.36)

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-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C)F

DOS

IR

Vibrations