Geometry & MOs

Info

ID:

107183

PubChem CID:

50194029

Reduced:

ClN6O6C37H47 (1)

Stoich.:

AB6C6D37E47 (1)

Weight, g/mol:

708.363533

ΔHf, kcal/mol:

-238.27

Dipole, Da:

4.27

IP(EA), eV:

 -9.0(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N6CCCC6

DOS

IR

Vibrations