Geometry & MOs

Info

ID:

113587

PubChem CID:

50452090

Reduced:

F2O4N5C36H41 (1)

Stoich.:

A2B4C5D36E41 (1)

Weight, g/mol:

617.281361

ΔHf, kcal/mol:

-226.26

Dipole, Da:

6.37

IP(EA), eV:

 -8.57(-0.45)

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-(4-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations