Geometry & MOs

Info

ID:

112498

PubChem CID:

50409410

Reduced:

BrFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-213.68

Dipole, Da:

7.6

IP(EA), eV:

 -8.82(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations