Geometry & MOs

Info

ID:

99076

PubChem CID:

50048076

Reduced:

F2N5O5C36H39 (1)

Stoich.:

A2B5C5D36E39 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-254.87

Dipole, Da:

11.42

IP(EA), eV:

 -8.86(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(3-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)C

DOS

IR

Vibrations