Geometry & MOs

Info

ID:

91780

PubChem CID:

49979058

Reduced:

BrO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

587.271939

ΔHf, kcal/mol:

-160.26

Dipole, Da:

8.46

IP(EA), eV:

 -8.99(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations