Geometry & MOs

Info

ID:

110185

PubChem CID:

50314950

Reduced:

FO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

603.18565

ΔHf, kcal/mol:

-263.86

Dipole, Da:

6.26

IP(EA), eV:

 -8.8(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)F

DOS

IR

Vibrations