Geometry & MOs

Info

ID:

91864

PubChem CID:

49979703

Reduced:

ClN6O6C33H41 (1)

Stoich.:

AB6C6D33E41 (1)

Weight, g/mol:

706.324561

ΔHf, kcal/mol:

-229.33

Dipole, Da:

7.33

IP(EA), eV:

 -9.03(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N)Cl

DOS

IR

Vibrations