Geometry & MOs

Info

ID:

109729

PubChem CID:

50295543

Reduced:

BrO4N5C33H46 (1)

Stoich.:

AB4C5D33E46 (1)

Weight, g/mol:

577.362805

ΔHf, kcal/mol:

-188.53

Dipole, Da:

3.53

IP(EA), eV:

 -8.97(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)C)Br

DOS

IR

Vibrations