Geometry & MOs

Info

ID:

115069

PubChem CID:

50507505

Reduced:

ClN6O6C35H45 (1)

Stoich.:

AB6C6D35E45 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-237.52

Dipole, Da:

11.92

IP(EA), eV:

 -8.88(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N(C)C

DOS

IR

Vibrations