Geometry & MOs

Info

ID:

110935

PubChem CID:

50344729

Reduced:

BrO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

670.24783

ΔHf, kcal/mol:

-216.04

Dipole, Da:

10.08

IP(EA), eV:

 -8.86(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)Br

DOS

IR

Vibrations