Geometry & MOs

Info

ID:

118329

PubChem CID:

50638789

Reduced:

ClN6O7C32H41 (1)

Stoich.:

AB6C7D32E41 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-260.29

Dipole, Da:

3.94

IP(EA), eV:

 -9.13(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)OC

DOS

IR

Vibrations