Geometry & MOs

Info

ID:

119407

PubChem CID:

50683558

Reduced:

ClN6O6C38H43 (1)

Stoich.:

AB6C6D38E43 (1)

Weight, g/mol:

748.254289

ΔHf, kcal/mol:

-205.23

Dipole, Da:

7.34

IP(EA), eV:

 -8.82(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(4-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations