Geometry & MOs

Info

ID:

112352

PubChem CID:

50403784

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

557.16377

ΔHf, kcal/mol:

-221.88

Dipole, Da:

4.57

IP(EA), eV:

 -9.0(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-bromoanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations