Geometry & MOs

Info

ID:

110936

PubChem CID:

50344730

Reduced:

BrO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-215.28

Dipole, Da:

8.22

IP(EA), eV:

 -8.84(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)C(=O)NCC(C)C

DOS

IR

Vibrations