Geometry & MOs

Info

ID:

101824

PubChem CID:

50065098

Reduced:

F3O4N5C34H36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

646.271525

ΔHf, kcal/mol:

-262.3

Dipole, Da:

11.29

IP(EA), eV:

 -8.84(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations