Geometry & MOs

Info

ID:

119538

PubChem CID:

50689579

Reduced:

ClN3O3C18H23 (2)

Stoich.:

AB3C3D18E23 (2)

Weight, g/mol:

688.254289

ΔHf, kcal/mol:

-254.49

Dipole, Da:

5.3

IP(EA), eV:

 -9.02(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations