Geometry & MOs

Info

ID:

120317

PubChem CID:

50722473

Reduced:

ClN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-205.33

Dipole, Da:

6.46

IP(EA), eV:

 -8.71(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations