Geometry & MOs

Info

ID:

106446

PubChem CID:

50163522

Reduced:

BrO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

710.27913

ΔHf, kcal/mol:

-236.02

Dipole, Da:

3.05

IP(EA), eV:

 -9.17(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C)Br

DOS

IR

Vibrations