Geometry & MOs

Info

ID:

112843

PubChem CID:

50422295

Reduced:

BrO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

521.300205

ΔHf, kcal/mol:

-195.33

Dipole, Da:

8.24

IP(EA), eV:

 -8.85(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-anilino-3-methyl-1-oxobutan-2-yl)-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]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)N)C(=O)NC

DOS

IR

Vibrations