Geometry & MOs

Info

ID:

116762

PubChem CID:

50574904

Reduced:

ClN6O7C36H47 (1)

Stoich.:

AB6C7D36E47 (1)

Weight, g/mol:

750.350776

ΔHf, kcal/mol:

-283.78

Dipole, Da:

9.65

IP(EA), eV:

 -8.83(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methoxy-5-(3-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations