Geometry & MOs

Info

ID:

100455

PubChem CID:

50061625

Reduced:

F2N5O5C35H39 (1)

Stoich.:

A2B5C5D35E39 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-252.52

Dipole, Da:

10.18

IP(EA), eV:

 -8.73(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-ethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations