Geometry & MOs

Info

ID:

91839

PubChem CID:

49979501

Reduced:

ClN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-235.82

Dipole, Da:

6.06

IP(EA), eV:

 -8.64(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(dimethylcarbamoyl)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=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)Cl

DOS

IR

Vibrations