Geometry & MOs

Info

ID:

119313

PubChem CID:

50677479

Reduced:

ClN6O6C37H51 (1)

Stoich.:

AB6C6D37E51 (1)

Weight, g/mol:

688.277611

ΔHf, kcal/mol:

-274.66

Dipole, Da:

10.08

IP(EA), eV:

 -8.66(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)NC(C)C)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations