Geometry & MOs

Info

ID:

108227

PubChem CID:

50236251

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

685.203416

ΔHf, kcal/mol:

-239.73

Dipole, Da:

9.87

IP(EA), eV:

 -8.63(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-1-[1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations