Geometry & MOs

Info

ID:

117205

PubChem CID:

50594910

Reduced:

ClN6O6C29H35 (1)

Stoich.:

AB6C6D29E35 (1)

Weight, g/mol:

626.261961

ΔHf, kcal/mol:

-219.59

Dipole, Da:

14.02

IP(EA), eV:

 -8.73(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NC2=CC=C(C=C2)C(=O)N)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations