Geometry & MOs

Info

ID:

91866

PubChem CID:

49979714

Reduced:

ClN6O6C40H47 (1)

Stoich.:

AB6C6D40E47 (1)

Weight, g/mol:

726.354111

ΔHf, kcal/mol:

-218.61

Dipole, Da:

5.68

IP(EA), eV:

 -8.67(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]-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=CC(=C(C=C5)NC(=O)C6=CC=C(C=C6)Cl)C

DOS

IR

Vibrations