Geometry & MOs

Info

ID:

91115

PubChem CID:

49973403

Reduced:

ClN6O6C32H39 (1)

Stoich.:

AB6C6D32E39 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-232.39

Dipole, Da:

8.96

IP(EA), eV:

 -8.96(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)N)Cl

DOS

IR

Vibrations