Geometry & MOs

Info

ID:

103754

PubChem CID:

50072758

Reduced:

BrO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

611.347155

ΔHf, kcal/mol:

-138.3

Dipole, Da:

2.2

IP(EA), eV:

 -8.77(-0.66)

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-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Br)C

DOS

IR

Vibrations