Geometry & MOs

Info

ID:

113192

PubChem CID:

50434396

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-202.94

Dipole, Da:

6.34

IP(EA), eV:

 -8.52(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations