Geometry & MOs

Info

ID:

91616

PubChem CID:

49977398

Reduced:

BrO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

654.21653

ΔHf, kcal/mol:

-211.94

Dipole, Da:

5.7

IP(EA), eV:

 -8.84(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations