Geometry & MOs

Info

ID:

99641

PubChem CID:

50053338

Reduced:

F2N6O6C37H44 (1)

Stoich.:

A2B6C6D37E44 (1)

Weight, g/mol:

774.315281

ΔHf, kcal/mol:

-308.03

Dipole, Da:

6.9

IP(EA), eV:

 -8.37(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)OC

DOS

IR

Vibrations