Geometry & MOs

Info

ID:

117204

PubChem CID:

50594839

Reduced:

ClO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

598.230661

ΔHf, kcal/mol:

-133.71

Dipole, Da:

8.35

IP(EA), eV:

 -8.44(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-carbamoylanilino)-3-oxopropyl]-1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations