Geometry & MOs

Info

ID:

90790

PubChem CID:

49972038

Reduced:

BrO4N5C36H50 (1)

Stoich.:

AB4C5D36E50 (1)

Weight, g/mol:

617.394105

ΔHf, kcal/mol:

-192.39

Dipole, Da:

9.12

IP(EA), eV:

 -8.85(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations