Geometry & MOs

Info

ID:

106778

PubChem CID:

50176290

Reduced:

ClN6O6C36H47 (1)

Stoich.:

AB6C6D36E47 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-253.27

Dipole, Da:

9.8

IP(EA), eV:

 -8.86(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations