Geometry & MOs

Info

ID:

92474

PubChem CID:

49986832

Reduced:

BrO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-234.6

Dipole, Da:

2.76

IP(EA), eV:

 -9.1(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C)Br

DOS

IR

Vibrations