Geometry & MOs

Info

ID:

112761

PubChem CID:

50418705

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-266.2

Dipole, Da:

7.33

IP(EA), eV:

 -9.04(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC=CC=C2NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations