Geometry & MOs

Info

ID:

116823

PubChem CID:

50576788

Reduced:

ClN3O3C18H20 (2)

Stoich.:

AB3C3D18E20 (2)

Weight, g/mol:

688.254289

ΔHf, kcal/mol:

-213.63

Dipole, Da:

13.08

IP(EA), eV:

 -8.43(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(2-methylpropanoylamino)anilino]-3-oxopropyl]-1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations