Geometry & MOs

Info

ID:

105506

PubChem CID:

50111113

Reduced:

FO4N5C28H34 (1)

Stoich.:

AB4C5D28E34 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-200.67

Dipole, Da:

8.75

IP(EA), eV:

 -8.71(-0.42)

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-[(2,4-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=C(C=C(C=C4)F)C

DOS

IR

Vibrations