Geometry & MOs

Info

ID:

111707

PubChem CID:

50378352

Reduced:

BrN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-236.44

Dipole, Da:

7.93

IP(EA), eV:

 -8.88(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)C(=O)N4CCOCC4

DOS

IR

Vibrations