Geometry & MOs

Info

ID:

106873

PubChem CID:

50179884

Reduced:

FN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

708.363533

ΔHf, kcal/mol:

-248.15

Dipole, Da:

13.17

IP(EA), eV:

 -8.87(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6F)C

DOS

IR

Vibrations