Geometry & MOs

Info

ID:

114750

PubChem CID:

50495630

Reduced:

F3O4N5C32H34 (1)

Stoich.:

A3B4C5D32E34 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-266.13

Dipole, Da:

9.2

IP(EA), eV:

 -9.14(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations