Geometry & MOs

Info

ID:

96683

PubChem CID:

50023505

Reduced:

FN5O6C36H42 (1)

Stoich.:

AB5C6D36E42 (1)

Weight, g/mol:

643.316998

ΔHf, kcal/mol:

-242.78

Dipole, Da:

8.54

IP(EA), eV:

 -8.77(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)OC)OC

DOS

IR

Vibrations