Geometry & MOs

Info

ID:

105484

PubChem CID:

50111020

Reduced:

FO4N5C27H32 (1)

Stoich.:

AB4C5D27E32 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-193.19

Dipole, Da:

3.47

IP(EA), eV:

 -9.02(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations