Geometry & MOs

Info

ID:

99744

PubChem CID:

50054745

Reduced:

F2N5O6C35H39 (1)

Stoich.:

A2B5C6D35E39 (1)

Weight, g/mol:

674.302825

ΔHf, kcal/mol:

-269.8

Dipole, Da:

7.22

IP(EA), eV:

 -8.75(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)OC)OC

DOS

IR

Vibrations