Geometry & MOs

Info

ID:

98205

PubChem CID:

50040774

Reduced:

F3N6O6C40H41 (1)

Stoich.:

A3B6C6D40E41 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-315.79

Dipole, Da:

9.34

IP(EA), eV:

 -8.67(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations