Geometry & MOs

Info

ID:

99034

PubChem CID:

50047912

Reduced:

F2O5N6C42H44 (1)

Stoich.:

A2B5C6D42E44 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-236.54

Dipole, Da:

6.18

IP(EA), eV:

 -8.24(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)F)C

DOS

IR

Vibrations