Geometry & MOs

Info

ID:

113761

PubChem CID:

50457478

Reduced:

F3O5N6C39H47 (1)

Stoich.:

A3B5C6D39E47 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-331.84

Dipole, Da:

4.69

IP(EA), eV:

 -8.69(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations