Geometry & MOs

Info

ID:

92601

PubChem CID:

49988454

Reduced:

BrO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

617.394105

ΔHf, kcal/mol:

-188.75

Dipole, Da:

6.35

IP(EA), eV:

 -8.71(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(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=C(C=C1)C(=O)NC2CCCCC2)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