Geometry & MOs

Info

ID:

111633

PubChem CID:

50376007

Reduced:

BrO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

617.394105

ΔHf, kcal/mol:

-193.52

Dipole, Da:

3.68

IP(EA), eV:

 -8.86(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4)Br

DOS

IR

Vibrations