Geometry & MOs

Info

ID:

113590

PubChem CID:

50452093

Reduced:

F4O4N5C33H33 (1)

Stoich.:

A4B4C5D33E33 (1)

Weight, g/mol:

647.291926

ΔHf, kcal/mol:

-288.79

Dipole, Da:

4.82

IP(EA), eV:

 -8.94(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations