Geometry & MOs

Info

ID:

108832

PubChem CID:

50260759

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

688.277611

ΔHf, kcal/mol:

-187.28

Dipole, Da:

11.56

IP(EA), eV:

 -8.54(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C)Cl

DOS

IR

Vibrations